1-butyl-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-butyl-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-butyl-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-butyl-3,7-dimethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-butyl-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-butyl-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C17H24N6O2/c1-7-8-9-22-15(24)13-14(21(6)17(22)25)18-16(20(13)5)23-12(4)10(2)11(3)19-23/h7-9H2,1-6H3