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

Systemtic Name: 9-(4-chlorophenyl)-6-(4-pyrrolidin-1-ylpiperidin-1-yl)purine-2-carbonitrile Openeye Name: 9-(4-chlorophenyl)-6-(4-pyrrolidin-1-yl-1-piperidyl)purine-2-carbonitrile CAS Name: 9-(4-chlorophenyl)-6-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-purinecarbonitrile IUPAC Name: 9-(4-chlorophenyl)-6-(4-pyrrolidin-1-ylpiperidin-1-yl)purine-2-carbonitrile Traditional Name: 9-(4-chlorophenyl)-6-(4-pyrrolidinopiperidino)purine-2-carbonitrile Formula: C21H22ClN7 MolecularWeight: 407.89928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C3=NC(=NC4=C3N=CN4C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C3=NC(=NC4=C3N=CN4C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C21H22ClN7/c22-15-3-5-17(6-4-15)29-14-24-19-20(25-18(13-23)26-21(19)29)28-11-7-16(8-12-28)27-9-1-2-10-27/h3-6,14,16H,1-2,7-12H2