2-(3-azanylpiperidin-1-yl)-5-(1H-benzimidazol-2-ylmethyl)-4,6-bis(oxidanylidene)-3-(2H-pyrimidin-1-ylmethyl)cyclohexene-1-carbonitrile

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-5-(1H-benzimidazol-2-ylmethyl)-4,6-bis(oxidanylidene)-3-(2H-pyrimidin-1-ylmethyl)cyclohexene-1-carbonitrile Openeye Name: 2-(3-amino-1-piperidyl)-5-(1H-benzimidazol-2-ylmethyl)-4,6-dioxo-3-(2H-pyrimidin-1-ylmethyl)cyclohexene-1-carbonitrile CAS Name: 2-(3-amino-1-piperidinyl)-5-(1H-benzimidazol-2-ylmethyl)-4,6-dioxo-3-(2H-pyrimidin-1-ylmethyl)-1-cyclohexenecarbonitrile IUPAC Name: 2-(3-aminopiperidin-1-yl)-5-(1H-benzimidazol-2-ylmethyl)-4,6-dioxo-3-(2H-pyrimidin-1-ylmethyl)cyclohexene-1-carbonitrile Traditional Name: 2-(3-aminopiperidino)-5-(1H-benzimidazol-2-ylmethyl)-4,6-diketo-3-(2H-pyrimidin-1-ylmethyl)cyclohexene-1-carbonitrile Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C(=O)C(C(=O)C2CN3CN=CC=C3)CC4=NC5=CC=CC=C5N4)C#N)N

Isomeric SMILES

C1CC(CN(C1)C2=C(C(=O)C(C(=O)C2CN3CN=CC=C3)CC4=NC5=CC=CC=C5N4)C#N)N

InChI

InChI=1S/C25H27N7O2/c26-12-18-23(32-10-3-5-16(27)13-32)19(14-31-9-4-8-28-15-31)25(34)17(24(18)33)11-22-29-20-6-1-2-7-21(20)30-22/h1-2,4,6-9,16-17,19H,3,5,10-11,13-15,27H2,(H,29,30)