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

Systemtic Name: 1-butyl-3-(3-oxidanylidenebutyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1-butyl-3-(3-oxobutyl)purine-2,6-dione CAS Name: 1-butyl-3-(3-oxobutyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1-butyl-3-(3-oxobutyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1-butyl-3-(3-ketobutyl)xanthine Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CCC(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CCC(=O)C

InChI

InChI=1S/C16H22N4O4/c1-4-5-7-20-15(23)13-14(17-10-18(13)9-12(3)22)19(16(20)24)8-6-11(2)21/h10H,4-9H2,1-3H3