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

Systemtic Name: 2-butylsulfanyl-3-(2-hydroxyethyl)-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-3-(2-hydroxyethyl)-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-3-(2-hydroxyethyl)-8-methoxy-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 2-butylsulfanyl-3-(2-hydroxyethyl)-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-3-(2-hydroxyethyl)-8-methoxy-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CCO)N(C3=C2C=C(C=C3)OC)C

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CCO)N(C3=C2C=C(C=C3)OC)C

InChI

InChI=1S/C18H23N3O3S/c1-4-5-10-25-18-19-15-13-11-12(24-3)6-7-14(13)20(2)16(15)17(23)21(18)8-9-22/h6-7,11,22H,4-5,8-10H2,1-3H3