1-butyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-butyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-oxo-pyridine-3-carbonitrile CAS Name: 1-butyl-4-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-butyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-oxopyridine-3-carbonitrile Traditional Name: 1-butyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]-2-keto-nicotinonitrile Formula: C20H26N6O MolecularWeight: 366.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)C#N)N2CCN(CC2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)C#N)N2CCN(CC2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H26N6O/c1-4-5-7-25-8-6-18(17(14-21)19(25)27)24-9-11-26(12-10-24)20-22-15(2)13-16(3)23-20/h6,8,13H,4-5,7,9-12H2,1-3H3