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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3-methyl-7H-purine-2,6-quinone Formula: C13H11ClN4O2 MolecularWeight: 290.70504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)NC=N2

InChI

InChI=1S/C13H11ClN4O2/c1-17-11-10(15-7-16-11)12(19)18(13(17)20)6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,16)