1,3-dimethyl-8-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-7-phenethyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(5-methyl-3-oxo-1H-pyrazol-2-yl)-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(5-methyl-3-oxo-1H-pyrazol-2-yl)-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(5-methyl-3-oxo-1H-pyrazol-2-yl)-7-phenethylpurine-2,6-dione Traditional Name: 8-(5-keto-3-methyl-3-pyrazolin-1-yl)-1,3-dimethyl-7-phenethyl-xanthine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=O)N(N1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H20N6O3/c1-12-11-14(26)25(21-12)18-20-16-15(17(27)23(3)19(28)22(16)2)24(18)10-9-13-7-5-4-6-8-13/h4-8,11,21H,9-10H2,1-3H3