2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3,6-dimethyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC(=O)C2=CC(=CC=C2)OC)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC(=O)C2=CC(=CC=C2)OC)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15-19(12-16-8-5-4-6-9-16)21(26)24(2)22(23-15)28-14-20(25)17-10-7-11-18(13-17)27-3/h4-11,13H,12,14H2,1-3H3