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

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(3-methylsulfonylphenyl)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(3-methylsulfonylphenyl)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(3-methylsulfonylphenyl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(3-methylsulfonylphenyl)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-3-[6-(3-mesylphenyl)purin-9-yl]-4-methyl-benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3S/c1-14-6-7-16(23(29)27-17-8-9-17)11-19(14)28-13-26-21-20(24-12-25-22(21)28)15-4-3-5-18(10-15)32(2,30)31/h3-7,10-13,17H,8-9H2,1-2H3,(H,27,29)