N-[3-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methyl]phenyl]-4-chloranyl-benzamide

Systemtic Name: N-[3-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methyl]phenyl]-4-chloranyl-benzamide Openeye Name: N-[3-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chloro-benzamide CAS Name: N-[3-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chlorobenzamide IUPAC Name: N-[3-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chlorobenzamide Traditional Name: N-[3-[(2-amino-6-keto-3H-purin-7-yl)methyl]phenyl]-4-chloro-benzamide Formula: C19H15ClN6O2 MolecularWeight: 394.8144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)CN3C=NC4=C3C(=O)N=C(N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)CN3C=NC4=C3C(=O)N=C(N4)N

InChI

InChI=1S/C19H15ClN6O2/c20-13-6-4-12(5-7-13)17(27)23-14-3-1-2-11(8-14)9-26-10-22-16-15(26)18(28)25-19(21)24-16/h1-8,10H,9H2,(H,23,27)(H3,21,24,25,28)