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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-(2-methoxyethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-(2-methoxyethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-13-8-9-14(2)17(12-13)24-20(25)19-18(23-21(24)27-11-10-26-3)15-6-4-5-7-16(15)22-19/h4-9,12,22H,10-11H2,1-3H3