N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]furan-2-carboxamide

Systemtic Name: N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]furan-2-carboxamide Openeye Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]furan-2-carboxamide CAS Name: N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]-2-furancarboxamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]furan-2-carboxamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-2-furamide Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C24H27N7O2/c32-23(19-10-6-15-33-19)29-24-27-21(25-11-7-14-30-12-4-5-13-30)20-22(28-24)31(17-26-20)16-18-8-2-1-3-9-18/h1-3,6,8-10,15,17H,4-5,7,11-14,16H2,(H2,25,27,28,29,32)