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

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H26N6O2 MolecularWeight: 358.43804

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O2/c1-10(2)8-9-23-14-15(21(6)18(26)22(7)16(14)25)19-17(23)24-13(5)11(3)12(4)20-24/h10H,8-9H2,1-7H3