1-butan-2-yl-3-methyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione

Systemtic Name: 1-butan-2-yl-3-methyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione Openeye Name: 3-methyl-8-(1H-pyrazol-4-yl)-1-sec-butyl-7H-purine-2,6-dione CAS Name: 1-butan-2-yl-3-methyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione IUPAC Name: 1-butan-2-yl-3-methyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione Traditional Name: 3-methyl-8-(1H-pyrazol-4-yl)-1-sec-butyl-7H-purine-2,6-quinone Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CNN=C3)N(C1=O)C

Isomeric SMILES

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CNN=C3)N(C1=O)C

InChI

InChI=1S/C13H16N6O2/c1-4-7(2)19-12(20)9-11(18(3)13(19)21)17-10(16-9)8-5-14-15-6-8/h5-7H,4H2,1-3H3,(H,14,15)(H,16,17)