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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C)CC

InChI

InChI=1S/C18H26N6O2/c1-6-12-10-13(7-2)24(21-12)17-19-15-14(23(17)9-8-11(3)4)16(25)20-18(26)22(15)5/h10-11H,6-9H2,1-5H3,(H,20,25,26)