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

Systemtic Name: 9-(4-chlorophenyl)-6-pyrrolidin-1-yl-purine-2-carbonitrile Openeye Name: 9-(4-chlorophenyl)-6-pyrrolidin-1-yl-purine-2-carbonitrile CAS Name: 9-(4-chlorophenyl)-6-(1-pyrrolidinyl)-2-purinecarbonitrile IUPAC Name: 9-(4-chlorophenyl)-6-pyrrolidin-1-ylpurine-2-carbonitrile Traditional Name: 9-(4-chlorophenyl)-6-pyrrolidino-purine-2-carbonitrile Formula: C16H13ClN6 MolecularWeight: 324.76762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C16H13ClN6/c17-11-3-5-12(6-4-11)23-10-19-14-15(22-7-1-2-8-22)20-13(9-18)21-16(14)23/h3-6,10H,1-2,7-8H2