About 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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
2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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 (PubChem CID 159228658) has the molecular formula C117H114ClN21O7S8
and a molecular weight of 2218.33 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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.
Frequently Asked Questions
What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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 (CID 159228658) is 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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 is CC1CCc2c(sc3nc(-c4ccc(Cl)cn4)[nH]c(=O)c23)C1.Cc1cc(C)nc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1.Cc1cc(C)nc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1.Cc1cc(C)nc(-c2nc3sc4c(c3c(=O)[nH]2)CCCS4)c1.Cc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCC(C)C4)n1.Cc1cccnc1-c1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3.Cc1cccnc1-c1nc2sc3c(c2c(=O)[nH]1)CCCCC3.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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?
The InChIKey is KSPOTVVXENRTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H17N3OS.C16H14ClN3OS.C16H15N3OS2/c1-9-5-6-11-12(8-9)22-17-13(11)16(21)19-15(20-17)14-10(2)4-3-7-18-14;1-9-6-7-11-13(8-9)22-17-14(11)16(21)19-15(20-17)12-5-3-4-10(2)18-12;2*1-9-7-10(2)18-12(8-9)15-19-16(21)14-11-5-3-4-6-13(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;1-8-2-4-10-12(6-8)22-16-13(10)15(21)19-14(20-16)11-5-3-9(17)7-18-11;1-8-6-9(2)17-11(7-8)13-18-14(20)12-10-4-3-5-21-16(10)22-15(12)19-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20,21);3-5,9H,6-8H2,1-2H3,(H,19,20,21);2*7-8H,3-6H2,1-2H3,(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H,19,20,21);3,5,7-8H,2,4,6H2,1H3,(H,19,20,21);6-7H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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?
2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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 has a molecular weight of 2218.33 g/mol, XLogP of 25.19, 7 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;5-(4,6-dimethyl-2-pyridinyl)-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;bis(2-(4,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one);7-methyl-2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;7-methyl-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 is sourced from PubChem (CID 159228658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).