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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CC=CC(=C3)C#N

InChI

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