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

Systemtic Name: 1-butyl-8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 1-butyl-8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-butyl-8-(3,5-dimethyl-1-pyrazolyl)-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 1-butyl-8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 1-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-p-anisyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

InChI=1S/C23H28N6O3/c1-6-7-12-27-21(30)19-20(26(4)23(27)31)24-22(29-16(3)13-15(2)25-29)28(19)14-17-8-10-18(32-5)11-9-17/h8-11,13H,6-7,12,14H2,1-5H3