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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O2/c1-9(2)7-8-22-13-14(21(6)17(25)19-15(13)24)18-16(22)23-12(5)10(3)11(4)20-23/h9H,7-8H2,1-6H3,(H,19,24,25)