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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-N-(4-methylphenyl)-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-methyl-6-oxo-N-(p-tolyl)pyrimidine-5-carboxamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-methyl-N-(4-methylphenyl)-6-oxo-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-methyl-N-(4-methylphenyl)-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-keto-1-methyl-N-(p-tolyl)pyrimidine-5-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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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)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N4O3S/c1-15-7-9-16(10-8-15)23-19(27)17-13-22-21(24(2)20(17)28)29-14-18(26)25-11-5-3-4-6-12-25/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,23,27)