About 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (PubChem CID 157359806) has the molecular formula C129H121ClN24O11S8
and a molecular weight of 2475.53 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CID 157359806) is 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is CC1CCc2c(sc3nc(-c4cccc(=O)[nH]4)[nH]c(=O)c23)C1.CCC1CCc2c(sc3nc(-c4cccc(=O)[nH]4)[nH]c(=O)c23)C1.Cc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1.Cc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)n1.Cc1cccnc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3.Cc1cccnc1-c1nc2sc3c(c2c(=O)[nH]1)CCCCC3.O=c1[nH]c(-c2ccc(Cl)cn2)nc2sc3c(c12)CCCC3.O=c1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)[nH]1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The InChIKey is BIMRYSZEABPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S.2C17H17N3OS.C16H15N3O2S.2C16H15N3OS.C15H12ClN3OS.C15H13N3O2S/c1-2-9-6-7-10-12(8-9)23-17-14(10)16(22)19-15(20-17)11-4-3-5-13(21)18-11;1-10-6-5-8-12(18-10)15-19-16(21)14-11-7-3-2-4-9-13(11)22-17(14)20-15;1-10-6-5-9-18-14(10)15-19-16(21)13-11-7-3-2-4-8-12(11)22-17(13)20-15;1-8-5-6-9-11(7-8)22-16-13(9)15(21)18-14(19-16)10-3-2-4-12(20)17-10;1-9-5-4-7-11(17-9)14-18-15(20)13-10-6-2-3-8-12(10)21-16(13)19-14;1-9-5-4-8-17-13(9)14-18-15(20)12-10-6-2-3-7-11(10)21-16(12)19-14;16-8-5-6-10(17-7-8)13-18-14(20)12-9-3-1-2-4-11(9)21-15(12)19-13;19-11-7-3-5-9(16-11)13-17-14(20)12-8-4-1-2-6-10(8)21-15(12)18-13/h3-5,9H,2,6-8H2,1H3,(H,18,21)(H,19,20,22);5-6,8H,2-4,7,9H2,1H3,(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H,19,20,21);2-4,8H,5-7H2,1H3,(H,17,20)(H,18,19,21);4-5,7H,2-3,6,8H2,1H3,(H,18,19,20);4-5,8H,2-3,6-7H2,1H3,(H,18,19,20);5-7H,1-4H2,(H,18,19,20);3,5,7H,1-2,4,6H2,(H,16,19)(H,17,18,20).
What are the key properties of 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one has a molecular weight of 2475.53 g/mol, XLogP of 24.83, 9 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-ethyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(3-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;5-(6-methyl-2-pyridinyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one;2-(6-oxo-1H-pyridin-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 157359806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).