1,3-bis(3-oxidanylidenebutyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 1,3-bis(3-oxidanylidenebutyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-bis(3-oxobutyl)purine-2,6-dione CAS Name: 1,3-bis(3-oxobutyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-bis(3-oxobutyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-bis(3-ketobutyl)xanthine Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C2=C(C(=O)N(C1=O)CCC(=O)C)N(C=N2)CC(=O)C

Isomeric SMILES

CC(=O)CCN1C2=C(C(=O)N(C1=O)CCC(=O)C)N(C=N2)CC(=O)C

InChI

InChI=1S/C16H20N4O5/c1-10(21)4-6-19-14-13(18(9-17-14)8-12(3)23)15(24)20(16(19)25)7-5-11(2)22/h9H,4-8H2,1-3H3