3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(3-pyridylmethylsulfanyl)pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(3-pyridinylmethylthio)-4-pyrimido[5,4-b]indolone IUPAC Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(3-pyridylmethylthio)pyrimid[5,4-b]indol-4-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC4=CN=CC=C4)CCO

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC4=CN=CC=C4)CCO

InChI

InChI=1S/C20H20N4O3S/c1-23-16-6-5-14(27-2)10-15(16)17-18(23)19(26)24(8-9-25)20(22-17)28-12-13-4-3-7-21-11-13/h3-7,10-11,25H,8-9,12H2,1-2H3