6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-benzylpiperazino)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=O)N3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=O)N3)C#N

InChI

InChI=1S/C16H17N5O/c17-10-14-11-18-16(19-15(14)22)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,11H,6-9,12H2,(H,18,19,22)