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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCCCC3

Isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCCCC3

InChI

InChI=1S/C19H22N4O2/c1-21-18(24)12-17(22-10-6-2-3-7-11-22)23(19(21)25)14-16-9-5-4-8-15(16)13-20/h4-5,8-9,12H,2-3,6-7,10-11,14H2,1H3