9-(2,2-dimethylpropyl)-5-oxidanylidene-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile

Systemtic Name: 9-(2,2-dimethylpropyl)-5-oxidanylidene-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile Openeye Name: 9-(2,2-dimethylpropyl)-5-oxo-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile CAS Name: 9-(2,2-dimethylpropyl)-5-oxo-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile IUPAC Name: 9-(2,2-dimethylpropyl)-5-oxo-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile Traditional Name: 5-keto-9-neopentyl-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile Formula: C13H17N5O MolecularWeight: 259.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C2=CN=C(N=C21)C#N

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)C2=CN=C(N=C21)C#N

InChI

InChI=1S/C13H17N5O/c1-13(2,3)8-18-5-4-15-12(19)9-7-16-10(6-14)17-11(9)18/h7H,4-5,8H2,1-3H3,(H,15,19)