3-methyl-7-(4-oxidanylidenepentyl)-1-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(4-oxidanylidenepentyl)-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-3-methyl-7-(4-oxopentyl)purine-2,6-dione CAS Name: 3-methyl-7-(4-oxopentyl)-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(4-oxopentyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-7-(4-ketopentyl)-3-methyl-xanthine Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)C

Isomeric SMILES

CC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)C

InChI

InChI=1S/C14H18N4O4/c1-9(19)5-4-6-17-8-15-12-11(17)13(21)18(7-10(2)20)14(22)16(12)3/h8H,4-7H2,1-3H3