6-azanyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylphenyl)pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylphenyl)pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1-(o-tolyl)pyrimidin-4-one CAS Name: 6-amino-2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-1-(2-methylphenyl)-4-pyrimidinone IUPAC Name: 6-amino-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1-(2-methylphenyl)pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-1-(o-tolyl)pyrimidin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)C3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)C3=CC(=C(C=C3)OC)OC)N

InChI

InChI=1S/C21H21N3O4S/c1-13-6-4-5-7-15(13)24-19(22)11-20(26)23-21(24)29-12-16(25)14-8-9-17(27-2)18(10-14)28-3/h4-11H,12,22H2,1-3H3