1-methyl-N-(4-methylphenyl)-6-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 1-methyl-N-(4-methylphenyl)-6-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxamide Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1-methyl-6-oxo-N-(p-tolyl)pyrimidine-5-carboxamide CAS Name: 1-methyl-N-(4-methylphenyl)-6-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-methyl-N-(4-methylphenyl)-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-keto-1-methyl-N-(p-tolyl)pyrimidine-5-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-15-8-10-17(11-9-15)25-20(28)18-13-24-22(26(2)21(18)29)30-14-19(27)23-12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3,(H,23,27)(H,25,28)