4-[[6-(azepan-1-yl)-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-(azepan-1-yl)-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[6-(azepan-1-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzonitrile CAS Name: 4-[[6-(1-azepanyl)-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzonitrile IUPAC Name: 4-[[6-(azepan-1-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 4-[[6-(azepan-1-yl)-2,4-diketo-3-methyl-1H-pyrimidin-5-yl]methyl]benzonitrile Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N2CCCCCC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N2CCCCCC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H22N4O2/c1-22-18(24)16(12-14-6-8-15(13-20)9-7-14)17(21-19(22)25)23-10-4-2-3-5-11-23/h6-9H,2-5,10-12H2,1H3,(H,21,25)