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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H20N4O2S/c20-12-15-17(14-8-4-3-5-9-14)21-19(22-18(15)25)26-13-16(24)23-10-6-1-2-7-11-23/h3-5,8-9H,1-2,6-7,10-11,13H2,(H,21,22,25)