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

Systemtic Name: 3-[6-(3-chlorophenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(3-chlorophenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(3-chlorophenyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(3-chlorophenyl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(3-chlorophenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H18ClN5O MolecularWeight: 403.86422

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O/c1-13-5-6-15(22(29)27-17-7-8-17)10-18(13)28-12-26-20-19(24-11-25-21(20)28)14-3-2-4-16(23)9-14/h2-6,9-12,17H,7-8H2,1H3,(H,27,29)