6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,5-dimethyl-3-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,5-dimethyl-3-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 3-benzyl-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,5-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,5-dimethyl-3-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 3-benzyl-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,5-dimethylpyrimidine-2,4-dione Traditional Name: 3-benzyl-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,5-dimethyl-pyrimidine-2,4-quinone Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N(C1=O)CC2=CC=CC=C2)C)SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(N(C(=O)N(C1=O)CC2=CC=CC=C2)C)SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N2O4S/c1-15-20(26)24(13-16-7-5-4-6-8-16)22(27)23(2)21(15)29-14-19(25)17-9-11-18(28-3)12-10-17/h4-12H,13-14H2,1-3H3