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

Systemtic Name: 3-butyl-1-(3-oxidanylbutyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-butyl-1-(3-hydroxybutyl)purine-2,6-dione CAS Name: 3-butyl-1-(3-hydroxybutyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-butyl-1-(3-hydroxybutyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-butyl-1-(3-hydroxybutyl)xanthine Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCC(C)O)N(C=N2)CC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCC(C)O)N(C=N2)CC(=O)C

InChI

InChI=1S/C16H24N4O4/c1-4-5-7-19-14-13(18(10-17-14)9-12(3)22)15(23)20(16(19)24)8-6-11(2)21/h10-11,21H,4-9H2,1-3H3