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

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(4-methylsulfanylphenyl)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(4-methylsulfanylphenyl)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylthio)phenyl]-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(4-methylsulfanylphenyl)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylthio)phenyl]purin-9-yl]benzamide Formula: C23H21N5OS MolecularWeight: 415.51074

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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=C(C=C5)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5OS/c1-14-3-4-16(23(29)27-17-7-8-17)11-19(14)28-13-26-21-20(24-12-25-22(21)28)15-5-9-18(30-2)10-6-15/h3-6,9-13,17H,7-8H2,1-2H3,(H,27,29)