3-methyl-7-(2-methylpropyl)-1-(2-oxidanylidenepropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-1-(2-oxidanylidenepropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-acetonyl-7-isobutyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-1-(2-oxopropyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-acetonyl-7-isobutyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C19H26N6O3/c1-10(2)8-23-15-16(20-18(23)25-14(6)12(4)13(5)21-25)22(7)19(28)24(17(15)27)9-11(3)26/h10H,8-9H2,1-7H3