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

Systemtic Name: N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]benzamide Openeye Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]benzamide CAS Name: N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]benzamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]benzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]benzamide Formula: C26H29N7O MolecularWeight: 455.55476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N7O/c34-25(21-12-5-2-6-13-21)31-26-29-23(27-14-9-17-32-15-7-8-16-32)22-24(30-26)33(19-28-22)18-20-10-3-1-4-11-20/h1-6,10-13,19H,7-9,14-18H2,(H2,27,29,30,31,34)