8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C21H24N6O3/c1-13-12-14(2)27(23-13)20-22-18-17(19(28)25(4)21(29)24(18)3)26(20)11-10-15-6-8-16(30-5)9-7-15/h6-9,12H,10-11H2,1-5H3