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

Systemtic Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)C)C

InChI

InChI=1S/C18H24N6O3/c1-6-7-8-22-14-15(19-17(22)24-12(3)9-11(2)20-24)21(5)18(27)23(16(14)26)10-13(4)25/h9H,6-8,10H2,1-5H3