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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

InChI

InChI=1S/C20H19N3OS/c1-12-8-9-13(2)14(10-12)11-25-20-22-17-15-6-4-5-7-16(15)21-18(17)19(24)23(20)3/h4-10,21H,11H2,1-3H3