2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C20H22N4O2S/c1-14-6-8-15(9-7-14)18-16(12-21)19(26)23-20(22-18)27-13-17(25)24-10-4-2-3-5-11-24/h6-9H,2-5,10-11,13H2,1H3,(H,22,23,26)