N-cyclopropyl-3-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[9-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-6-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[9-[5-(cyclopropylcarbamoyl)-2-methylphenyl]purin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-4-methyl-benzamide Formula: C27H26N6O2 MolecularWeight: 466.53434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C4C(=NC=N3)N(C=N4)C5=C(C=CC(=C5)C(=O)NC6CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C4C(=NC=N3)N(C=N4)C5=C(C=CC(=C5)C(=O)NC6CC6)C

InChI

InChI=1S/C27H26N6O2/c1-15-3-5-17(26(34)31-19-7-8-19)11-21(15)23-24-25(29-13-28-23)33(14-30-24)22-12-18(6-4-16(22)2)27(35)32-20-9-10-20/h3-6,11-14,19-20H,7-10H2,1-2H3,(H,31,34)(H,32,35)