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

Systemtic Name: N-[4-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)methyl]phenyl]-4-chloranyl-benzamide Openeye Name: N-[4-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chloro-benzamide CAS Name: N-[4-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chlorobenzamide IUPAC Name: N-[4-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chlorobenzamide Traditional Name: N-[4-[(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=C1CN2C=NC3=C2C(=O)N=C(N3)N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN6O2/c20-13-5-3-12(4-6-13)17(27)23-14-7-1-11(2-8-14)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)