6-chloranyl-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-chloranyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 9-benzyl-6-chloro-7H-purin-8-one CAS Name: 6-chloro-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 9-benzyl-6-chloro-7H-purin-8-one Traditional Name: 9-benzyl-6-chloro-7H-purin-8-one Formula: C12H9ClN4O MolecularWeight: 260.67906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)Cl)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)Cl)NC2=O

InChI

InChI=1S/C12H9ClN4O/c13-10-9-11(15-7-14-10)17(12(18)16-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18)