[(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid

C102H128ClN19O26P4 — CID 157337294

About [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid

[(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid (PubChem CID 157337294) has the molecular formula C102H128ClN19O26P4 and a molecular weight of 2195.60 g/mol. Its IUPAC name is [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid.

Molecular Properties

• Compound Name: [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
• PubChem CID: 157337294
• Molecular Formula: C102H128ClN19O26P4
• Molecular Weight: 2195.60 g/mol
• Exact Mass: 2193.79
• IUPAC Name: [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
• SMILES: CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)nc(C#N)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.C[C@@H](Nc1nc(C#N)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1.C[C@@H](Nc1nc(C#N)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@H]2CC(C)(C)C[C@H]21)c1ccccc1
• InChI: InChI=1S/C28H36N5O7P.C27H36ClN4O7P.C26H32N5O5P.C21H24N5O7P/c1-6-36-41(34,37-7-2)17-35-16-21-23-24(40-28(4,5)39-23)27(38-21)33-14-13-20-25(31-22(15-29)32-26(20)33)30-18(3)19-11-9-8-10-12-19;1-6-35-40(33,36-7-2)16-34-15-20-21-22(39-27(4,5)38-21)25(37-20)32-14-13-19-23(30-26(28)31-24(19)32)29-17(3)18-11-9-8-10-12-18;1-16(17-7-5-4-6-8-17)28-23-18-9-10-31(24(18)30-22(13-27)29-23)25-20-12-26(2,3)11-19(20)21(36-25)14-35-15-37(32,33)34;1-12(13-5-3-2-4-6-13)23-19-14-7-8-26(20(14)25-16(9-22)24-19)21-18(28)17(27)15(33-21)10-32-11-34(29,30)31/h8-14,18,21,23-24,27H,6-7,16-17H2,1-5H3,(H,30,31,32);8-14,17,20-22,25H,6-7,15-16H2,1-5H3,(H,29,30,31);4-10,16,19-21,25H,11-12,14-15H2,1-3H3,(H,28,29,30)(H2,32,33,34);2-8,12,15,17-18,21,27-28H,10-11H2,1H3,(H,23,24,25)(H2,29,30,31)/t18-,21-,23-,24-,27-;17-,20-,21-,22-,25-;16-,19+,20-,21-,25-;12-,15-,17-,18-,21-/m1111/s1
• InChIKey: BFZDPWYTBVLVIQ-PURHKXTQSA-N
• XLogP: 16.87
• TPSA: 579.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.60
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

The IUPAC name of [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid (CID 157337294) is [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid.

What is the SMILES notation for [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

The canonical SMILES for [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid is CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)nc(C#N)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccccc4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.C[C@@H](Nc1nc(C#N)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1.C[C@@H](Nc1nc(C#N)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@H]2CC(C)(C)C[C@H]21)c1ccccc1.

What is the InChIKey of [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

The InChIKey is BFZDPWYTBVLVIQ-PURHKXTQSA-N. The full InChI is InChI=1S/C28H36N5O7P.C27H36ClN4O7P.C26H32N5O5P.C21H24N5O7P/c1-6-36-41(34,37-7-2)17-35-16-21-23-24(40-28(4,5)39-23)27(38-21)33-14-13-20-25(31-22(15-29)32-26(20)33)30-18(3)19-11-9-8-10-12-19;1-6-35-40(33,36-7-2)16-34-15-20-21-22(39-27(4,5)38-21)25(37-20)32-14-13-19-23(30-26(28)31-24(19)32)29-17(3)18-11-9-8-10-12-18;1-16(17-7-5-4-6-8-17)28-23-18-9-10-31(24(18)30-22(13-27)29-23)25-20-12-26(2,3)11-19(20)21(36-25)14-35-15-37(32,33)34;1-12(13-5-3-2-4-6-13)23-19-14-7-8-26(20(14)25-16(9-22)24-19)21-18(28)17(27)15(33-21)10-32-11-34(29,30)31/h8-14,18,21,23-24,27H,6-7,16-17H2,1-5H3,(H,30,31,32);8-14,17,20-22,25H,6-7,15-16H2,1-5H3,(H,29,30,31);4-10,16,19-21,25H,11-12,14-15H2,1-3H3,(H,28,29,30)(H2,32,33,34);2-8,12,15,17-18,21,27-28H,10-11H2,1H3,(H,23,24,25)(H2,29,30,31)/t18-,21-,23-,24-,27-;17-,20-,21-,22-,25-;16-,19+,20-,21-,25-;12-,15-,17-,18-,21-/m1111/s1.

What are the key properties of [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

[(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid has a molecular weight of 2195.60 g/mol, XLogP of 16.87, 40 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R,3aR,6aS)-3-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methoxymethylphosphonic acid;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidine-2-carbonitrile;[(2R,3S,4R,5R)-5-[2-cyano-4-[[(1R)-1-phenylethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid is sourced from PubChem (CID 157337294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).