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

Systemtic Name: 2-[[4-[3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(2,4-diketo-3-methyl-1H-pyrimidin-6-yl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C18H21N5O2/c1-21-17(24)11-16(20-18(21)25)23-8-4-7-22(9-10-23)13-15-6-3-2-5-14(15)12-19/h2-3,5-6,11H,4,7-10,13H2,1H3,(H,20,25)