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

Systemtic Name: 4-methoxy-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]-4-methoxy-benzamide CAS Name: 4-methoxy-N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]benzamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-4-methoxybenzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-4-methoxy-benzamide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=N2)NCCCN4CCCC4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=N2)NCCCN4CCCC4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C27H31N7O2/c1-36-22-12-10-21(11-13-22)26(35)32-27-30-24(28-14-7-17-33-15-5-6-16-33)23-25(31-27)34(19-29-23)18-20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-18H2,1H3,(H2,28,30,31,32,35)