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

Systemtic Name: 7-butyl-3-methyl-1-(2-oxidanylidenepropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-acetonyl-7-butyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-butyl-3-methyl-1-(2-oxopropyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-acetonyl-7-butyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O3/c1-7-8-9-23-15-16(20-18(23)25-14(5)12(3)13(4)21-25)22(6)19(28)24(17(15)27)10-11(2)26/h7-10H2,1-6H3