4-phenyl-1-(7H-purin-6-yl)piperidine-4-carbonitrile

Systemtic Name: 4-phenyl-1-(7H-purin-6-yl)piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-(7H-purin-6-yl)piperidine-4-carbonitrile CAS Name: 4-phenyl-1-(7H-purin-6-yl)-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-(7H-purin-6-yl)piperidine-4-carbonitrile Traditional Name: 4-phenyl-1-(7H-purin-6-yl)isonipecotonitrile Formula: C17H16N6 MolecularWeight: 304.34914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H16N6/c18-10-17(13-4-2-1-3-5-13)6-8-23(9-7-17)16-14-15(20-11-19-14)21-12-22-16/h1-5,11-12H,6-9H2,(H,19,20,21,22)