N-cyclopropyl-3-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)purin-9-yl]-4-methyl-benzamide Formula: C24H21N5O3 MolecularWeight: 427.45524

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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)OCCO6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C24H21N5O3/c1-14-2-3-16(24(30)28-17-5-6-17)10-18(14)29-13-27-22-21(25-12-26-23(22)29)15-4-7-19-20(11-15)32-9-8-31-19/h2-4,7,10-13,17H,5-6,8-9H2,1H3,(H,28,30)