2-chloranyl-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-chloranyl-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-chloro-3H-purin-6-one CAS Name: 2-chloro-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-chloro-3H-purin-6-one Traditional Name: 7-benzyl-2-chloro-3H-purin-6-one Formula: C12H9ClN4O MolecularWeight: 260.67906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)Cl

InChI

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