1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-isobutyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-isobutyl-8-(1H-pyrazol-4-yl)-7H-xanthine Formula: C12H14N6O2 MolecularWeight: 274.27856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CNN=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CNN=C3

InChI

InChI=1S/C12H14N6O2/c1-6(2)5-18-11(19)8-10(17-12(18)20)16-9(15-8)7-3-13-14-4-7/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16)(H,17,20)