2-chloranyl-1,8-dimethyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-1,8-dimethyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-chloro-1,8-dimethyl-purin-6-one CAS Name: 2-chloro-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-chloro-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-chloro-1,8-dimethyl-purin-6-one Formula: C14H13ClN4O MolecularWeight: 288.73222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

InChI

InChI=1S/C14H13ClN4O/c1-9-16-12-11(13(20)18(2)14(15)17-12)19(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3