1-(3,3-dimethyl-2-oxidanylidene-butyl)-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-3,7-dimethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-3,7-dimethyl-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(N2C)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)C

InChI

InChI=1S/C19H26N6O3/c1-10-11(2)21-25(12(10)3)17-20-15-14(22(17)7)16(27)24(18(28)23(15)8)9-13(26)19(4,5)6/h9H2,1-8H3