8-[(4-chlorophenyl)-oxidanyl-methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)-oxidanyl-methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)-hydroxy-methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4-chlorophenyl)-hydroxy-methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H13ClN4O3 MolecularWeight: 320.73102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C14H13ClN4O3/c1-18-12-9(13(21)19(2)14(18)22)16-11(17-12)10(20)7-3-5-8(15)6-4-7/h3-6,10,20H,1-2H3,(H,16,17)