8-chloranyl-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-chloro-7-methyl-purine-2,6-dione CAS Name: 8-chloro-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-chloro-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-chloro-7-methyl-xanthine Formula: C13H11ClN4O2 MolecularWeight: 290.70504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)NC2=O)CC3=CC=CC=C3

InChI

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