9-(4-chlorophenyl)-6-(3-pyrrolidin-1-ylpropylamino)purine-2-carbonitrile

Systemtic Name: 9-(4-chlorophenyl)-6-(3-pyrrolidin-1-ylpropylamino)purine-2-carbonitrile Openeye Name: 9-(4-chlorophenyl)-6-(3-pyrrolidin-1-ylpropylamino)purine-2-carbonitrile CAS Name: 9-(4-chlorophenyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinecarbonitrile IUPAC Name: 9-(4-chlorophenyl)-6-(3-pyrrolidin-1-ylpropylamino)purine-2-carbonitrile Traditional Name: 9-(4-chlorophenyl)-6-(3-pyrrolidinopropylamino)purine-2-carbonitrile Formula: C19H20ClN7 MolecularWeight: 381.862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C19H20ClN7/c20-14-4-6-15(7-5-14)27-13-23-17-18(24-16(12-21)25-19(17)27)22-8-3-11-26-9-1-2-10-26/h4-7,13H,1-3,8-11H2,(H,22,24,25)