1-methyl-3-(2-methylpropyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-isobutyl-1-methyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C

InChI

InChI=1S/C13H18N4O3/c1-8(2)5-17-11-10(12(19)15(4)13(17)20)16(7-14-11)6-9(3)18/h7-8H,5-6H2,1-4H3