1,3-bis(oxidanylidene)-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

Systemtic Name: 1,3-bis(oxidanylidene)-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 1,3-diketo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C10H11N3O2 MolecularWeight: 205.21324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)NC(=O)N2CC1)C#N

Isomeric SMILES

C1CCC2=C(C(=O)NC(=O)N2CC1)C#N

InChI

InChI=1S/C10H11N3O2/c11-6-7-8-4-2-1-3-5-13(8)10(15)12-9(7)14/h1-5H2,(H,12,14,15)