6-(4-azanylpiperidin-1-yl)-9-(4-chlorophenyl)purine-2-carbonitrile

Systemtic Name: 6-(4-azanylpiperidin-1-yl)-9-(4-chlorophenyl)purine-2-carbonitrile Openeye Name: 6-(4-amino-1-piperidyl)-9-(4-chlorophenyl)purine-2-carbonitrile CAS Name: 6-(4-amino-1-piperidinyl)-9-(4-chlorophenyl)-2-purinecarbonitrile IUPAC Name: 6-(4-aminopiperidin-1-yl)-9-(4-chlorophenyl)purine-2-carbonitrile Traditional Name: 6-(4-aminopiperidino)-9-(4-chlorophenyl)purine-2-carbonitrile Formula: C17H16ClN7 MolecularWeight: 353.80884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CN(CCC1N)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C17H16ClN7/c18-11-1-3-13(4-2-11)25-10-21-15-16(22-14(9-19)23-17(15)25)24-7-5-12(20)6-8-24/h1-4,10,12H,5-8,20H2