4-azanyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(4-benzylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(4-benzylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(4-benzylpiperazino)pyrimidine-5-carbonitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6/c17-10-14-11-19-16(20-15(14)18)22-8-6-21(7-9-22)12-13-4-2-1-3-5-13/h1-5,11H,6-9,12H2,(H2,18,19,20)