4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten

C104H124BrN22O12S4W- — CID 159569876

About 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten

4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten (PubChem CID 159569876) has the molecular formula C104H124BrN22O12S4W- and a molecular weight of 2266.29 g/mol. Its IUPAC name is 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten.

Molecular Properties

• Compound Name: 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten
• PubChem CID: 159569876
• Molecular Formula: C104H124BrN22O12S4W-
• Molecular Weight: 2266.29 g/mol
• Exact Mass: 2263.74
• IUPAC Name: 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten
• SMILES: Brc1csc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc12.C1=NCc2cccc(-c3nc(N4CCOCC4)nc4c(CN5CCNCC5)csc34)c21.CC(C)(C)OC(=O)N1CCN(Cc2csc3c(-c4cccc5c4C=NC5)nc(N4CCOCC4)nc23)CC1.CC1CCCO1.C[C@@H](O)C(=O)N1CCN(Cc2csc3c(-c4cccc5c4C=NC5)nc(N4CCOCC4)nc23)CC1.C[C@@H](O)C(=O)O.[CH3-].[W]
• InChI: InChI=1S/C28H34N6O3S.C26H30N6O3S.C23H26N6OS.C18H15BrN4OS.C5H10O.C3H6O3.CH3.W/c1-28(2,3)37-27(35)34-9-7-32(8-10-34)17-20-18-38-25-23(20)30-26(33-11-13-36-14-12-33)31-24(25)21-6-4-5-19-15-29-16-22(19)21;1-17(33)25(34)31-7-5-30(6-8-31)15-19-16-36-24-22(19)28-26(32-9-11-35-12-10-32)29-23(24)20-4-2-3-18-13-27-14-21(18)20;1-2-16-12-25-13-19(16)18(3-1)21-22-20(26-23(27-21)29-8-10-30-11-9-29)17(15-31-22)14-28-6-4-24-5-7-28;19-14-10-25-17-15(12-3-1-2-11-8-20-9-13(11)12)21-18(22-16(14)17)23-4-6-24-7-5-23;1-5-3-2-4-6-5;1-2(4)3(5)6;;/h4-6,16,18H,7-15,17H2,1-3H3;2-4,14,16-17,33H,5-13,15H2,1H3;1-3,13,15,24H,4-12,14H2;1-3,9-10H,4-8H2;5H,2-4H2,1H3;2,4H,1H3,(H,5,6);1H3;/q;;;;;;-1;/t;17-;;;;2-;;/m.1...1../s1
• InChIKey: MZOYLECLFXTQGX-NYVWUOTDSA-N
• XLogP: 13.84
• TPSA: 361.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2266.29
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten?

The IUPAC name of 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten (CID 159569876) is 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten.

What is the SMILES notation for 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten?

The canonical SMILES for 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten is Brc1csc2c(-c3cccc4c3C=NC4)nc(N3CCOCC3)nc12.C1=NCc2cccc(-c3nc(N4CCOCC4)nc4c(CN5CCNCC5)csc34)c21.CC(C)(C)OC(=O)N1CCN(Cc2csc3c(-c4cccc5c4C=NC5)nc(N4CCOCC4)nc23)CC1.CC1CCCO1.C[C@@H](O)C(=O)N1CCN(Cc2csc3c(-c4cccc5c4C=NC5)nc(N4CCOCC4)nc23)CC1.C[C@@H](O)C(=O)O.[CH3-].[W].

What is the InChIKey of 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten?

The InChIKey is MZOYLECLFXTQGX-NYVWUOTDSA-N. The full InChI is InChI=1S/C28H34N6O3S.C26H30N6O3S.C23H26N6OS.C18H15BrN4OS.C5H10O.C3H6O3.CH3.W/c1-28(2,3)37-27(35)34-9-7-32(8-10-34)17-20-18-38-25-23(20)30-26(33-11-13-36-14-12-33)31-24(25)21-6-4-5-19-15-29-16-22(19)21;1-17(33)25(34)31-7-5-30(6-8-31)15-19-16-36-24-22(19)28-26(32-9-11-35-12-10-32)29-23(24)20-4-2-3-18-13-27-14-21(18)20;1-2-16-12-25-13-19(16)18(3-1)21-22-20(26-23(27-21)29-8-10-30-11-9-29)17(15-31-22)14-28-6-4-24-5-7-28;19-14-10-25-17-15(12-3-1-2-11-8-20-9-13(11)12)21-18(22-16(14)17)23-4-6-24-7-5-23;1-5-3-2-4-6-5;1-2(4)3(5)6;;/h4-6,16,18H,7-15,17H2,1-3H3;2-4,14,16-17,33H,5-13,15H2,1H3;1-3,13,15,24H,4-12,14H2;1-3,9-10H,4-8H2;5H,2-4H2,1H3;2,4H,1H3,(H,5,6);1H3;/q;;;;;;-1;/t;17-;;;;2-;;/m.1...1../s1.

What are the key properties of 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten?

4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten has a molecular weight of 2266.29 g/mol, XLogP of 13.84, 16 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-bromo-4-(1H-isoindol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;carbanide;(2R)-2-hydroxy-1-[4-[[4-(1H-isoindol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;(2R)-2-hydroxypropanoic acid;4-[4-(1H-isoindol-4-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-methyloxolane;tungsten is sourced from PubChem (CID 159569876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).