N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(3-methylolphenyl)purin-9-yl]benzamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC(=CC=C5)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC(=CC=C5)CO

InChI

InChI=1S/C23H21N5O2/c1-14-5-6-17(23(30)27-18-7-8-18)10-19(14)28-13-26-21-20(24-12-25-22(21)28)16-4-2-3-15(9-16)11-29/h2-6,9-10,12-13,18,29H,7-8,11H2,1H3,(H,27,30)