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

Systemtic Name: 1-methyl-N-(4-methylphenyl)-6-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide Openeye Name: 1-methyl-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-N-(p-tolyl)pyrimidine-5-carboxamide CAS Name: 1-methyl-N-(4-methylphenyl)-6-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5-pyrimidinecarboxamide IUPAC Name: 1-methyl-N-(4-methylphenyl)-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimidine-5-carboxamide Traditional Name: 6-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1-methyl-N-(p-tolyl)pyrimidine-5-carboxamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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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)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3S/c1-18-8-10-19(11-9-18)27-23(32)21-16-26-25(28(2)24(21)33)34-17-22(31)30-14-12-29(13-15-30)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,27,32)