6-[(3,5-dimethylphenyl)methyl]-2-(1H-indol-5-ylsulfanyl)-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-2-(1H-indol-5-ylsulfanyl)-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(3,5-dimethylphenyl)methyl]-2-(1H-indol-5-ylsulfanyl)-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[(3,5-dimethylphenyl)methyl]-2-(1H-indol-5-ylthio)-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-2-(1H-indol-5-ylsulfanyl)-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(3,5-dimethylbenzyl)-2-(1H-indol-5-ylthio)-5-methyl-1H-pyrimidin-4-one Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=C(C(=O)N=C(N2)SC3=CC4=C(C=C3)NC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=C(C(=O)N=C(N2)SC3=CC4=C(C=C3)NC=C4)C)C

InChI

InChI=1S/C22H21N3OS/c1-13-8-14(2)10-16(9-13)11-20-15(3)21(26)25-22(24-20)27-18-4-5-19-17(12-18)6-7-23-19/h4-10,12,23H,11H2,1-3H3,(H,24,25,26)