4-[1-azanyl-2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-(7H-purin-6-yl)benzamide

Systemtic Name: 4-[1-azanyl-2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-(7H-purin-6-yl)benzamide Openeye Name: 4-[1-amino-2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-N-(7H-purin-6-yl)benzamide CAS Name: 4-[1-amino-2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N-(7H-purin-6-yl)benzamide IUPAC Name: 4-[1-amino-2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N-(7H-purin-6-yl)benzamide Traditional Name: 4-[1-amino-2-[(3-chlorobenzyl)amino]-2-keto-ethyl]-N-(7H-purin-6-yl)benzamide Formula: C21H18ClN7O2 MolecularWeight: 435.86632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)C(C2=CC=C(C=C2)C(=O)NC3=NC=NC4=C3NC=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)C(C2=CC=C(C=C2)C(=O)NC3=NC=NC4=C3NC=N4)N

InChI

InChI=1S/C21H18ClN7O2/c22-15-3-1-2-12(8-15)9-24-21(31)16(23)13-4-6-14(7-5-13)20(30)29-19-17-18(26-10-25-17)27-11-28-19/h1-8,10-11,16H,9,23H2,(H,24,31)(H2,25,26,27,28,29,30)