7-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C18H16Cl2N6O2 MolecularWeight: 419.26464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C18H16Cl2N6O2/c1-9-6-10(2)26(23-9)17-21-15-14(16(27)22-18(28)24(15)3)25(17)8-11-4-5-12(19)13(20)7-11/h4-7H,8H2,1-3H3,(H,22,27,28)