4-[[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazino]methyl]benzonitrile Formula: C16H17ClN6 MolecularWeight: 328.79938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6/c17-14-9-15(21-16(19)20-14)23-7-5-22(6-8-23)11-13-3-1-12(10-18)2-4-13/h1-4,9H,5-8,11H2,(H2,19,20,21)