8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCOC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCOC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

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