2-(2-methoxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(2-methoxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-methoxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(2-methoxyethylthio)-3-(2-methoxy-5-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-methoxyethylsulfanyl)-3-(2-methoxy-5-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(2-methoxyethylthio)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCOC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCOC

InChI

InChI=1S/C21H21N3O3S/c1-13-8-9-17(27-3)16(12-13)24-20(25)19-18(23-21(24)28-11-10-26-2)14-6-4-5-7-15(14)22-19/h4-9,12,22H,10-11H2,1-3H3