3-(2,4-dichlorophenyl)-7-heptyl-1-methyl-purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-7-heptyl-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-7-heptyl-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-7-heptyl-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-7-heptyl-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-7-heptyl-1-methyl-xanthine Formula: C19H22Cl2N4O2 MolecularWeight: 409.30958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C19H22Cl2N4O2/c1-3-4-5-6-7-10-24-12-22-17-16(24)18(26)23(2)19(27)25(17)15-9-8-13(20)11-14(15)21/h8-9,11-12H,3-7,10H2,1-2H3