3-[6-(1,3-benzodioxol-5-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-(1,3-benzodioxol-5-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(1,3-benzodioxol-5-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(1,3-benzodioxol-5-yl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(1,3-benzodioxol-5-yl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(1,3-benzodioxol-5-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C23H19N5O3 MolecularWeight: 413.42866

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C23H19N5O3/c1-13-2-3-15(23(29)27-16-5-6-16)8-17(13)28-11-26-21-20(24-10-25-22(21)28)14-4-7-18-19(9-14)31-12-30-18/h2-4,7-11,16H,5-6,12H2,1H3,(H,27,29)