4-[1-azanyl-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(7H-purin-6-yl)benzamide

Systemtic Name: 4-[1-azanyl-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(7H-purin-6-yl)benzamide Openeye Name: 4-[1-amino-2-(benzylamino)-2-oxo-ethyl]-N-(7H-purin-6-yl)benzamide CAS Name: 4-[1-amino-2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(7H-purin-6-yl)benzamide IUPAC Name: 4-[1-amino-2-(benzylamino)-2-oxoethyl]-N-(7H-purin-6-yl)benzamide Traditional Name: 4-[1-amino-2-(benzylamino)-2-keto-ethyl]-N-(7H-purin-6-yl)benzamide Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7O2/c22-16(21(30)23-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)20(29)28-19-17-18(25-11-24-17)26-12-27-19/h1-9,11-12,16H,10,22H2,(H,23,30)(H2,24,25,26,27,28,29)