4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(4-phenylpiperazin-1-yl)-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(4-phenyl-1-piperazinyl)-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(4-phenylpiperazino)-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=C(N3)C4=CN=CC=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=C(N3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C20H18N6O/c21-13-17-18(15-5-4-8-22-14-15)23-20(24-19(17)27)26-11-9-25(10-12-26)16-6-2-1-3-7-16/h1-8,14H,9-12H2,(H,23,24,27)