3-butyl-8-(2-chlorophenyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(2-chlorophenyl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(2-chlorophenyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(2-chlorophenyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(2-chlorophenyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(2-chlorophenyl)-7-methyl-xanthine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C16H17ClN4O2/c1-3-4-9-21-14-12(15(22)19-16(21)23)20(2)13(18-14)10-7-5-6-8-11(10)17/h5-8H,3-4,9H2,1-2H3,(H,19,22,23)