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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-propan-2-ylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-isopropylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-(propan-2-ylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-propan-2-ylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-(isopropylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C)C

InChI

InChI=1S/C21H21N3OS/c1-12(2)26-21-23-18-16-7-5-6-8-17(16)22-19(18)20(25)24(21)15-10-13(3)9-14(4)11-15/h5-12,22H,1-4H3