3-butyl-7-(2-methylpropyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-(1-methylpyrazol-4-yl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-(1-methyl-4-pyrazolyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-(1-methylpyrazol-4-yl)xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CN(N=C3)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CN(N=C3)C)CC(C)C

InChI

InChI=1S/C17H24N6O2/c1-5-6-7-22-15-13(16(24)20-17(22)25)23(9-11(2)3)14(19-15)12-8-18-21(4)10-12/h8,10-11H,5-7,9H2,1-4H3,(H,20,24,25)