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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-1-(2-oxidanylidenepropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-acetonyl-7-isopentyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-1-(2-oxopropyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-acetonyl-7-isoamyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C20H28N6O3/c1-11(2)8-9-24-16-17(21-19(24)26-15(6)13(4)14(5)22-26)23(7)20(29)25(18(16)28)10-12(3)27/h11H,8-10H2,1-7H3