2-chloranyl-1,8-dimethyl-9-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-1,8-dimethyl-9-(phenylmethyl)purin-6-one Openeye Name: 9-benzyl-2-chloro-1,8-dimethyl-purin-6-one CAS Name: 2-chloro-1,8-dimethyl-9-(phenylmethyl)-6-purinone IUPAC Name: 9-benzyl-2-chloro-1,8-dimethylpurin-6-one Traditional Name: 9-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)N=C(N(C2=O)C)Cl

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N(C2=O)C)Cl

InChI

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