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

Systemtic Name: 3-ethyl-1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-isobutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione CAS Name: 3-ethyl-1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-isobutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-quinone Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CNN=C3

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CNN=C3

InChI

InChI=1S/C14H18N6O2/c1-4-19-12-10(13(21)20(14(19)22)7-8(2)3)17-11(18-12)9-5-15-16-6-9/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,17,18)