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

Systemtic Name: 7-butyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H22N6O2/c1-6-7-8-21-12-13(20(5)16(24)18-14(12)23)17-15(21)22-11(4)9(2)10(3)19-22/h6-8H2,1-5H3,(H,18,23,24)