3-cyclopropyl-1-ethyl-7-(3-oxidanylidenebutyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-ethyl-7-(3-oxidanylidenebutyl)purine-2,6-dione Openeye Name: 3-cyclopropyl-1-ethyl-7-(3-oxobutyl)purine-2,6-dione CAS Name: 3-cyclopropyl-1-ethyl-7-(3-oxobutyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-1-ethyl-7-(3-oxobutyl)purine-2,6-dione Traditional Name: 3-cyclopropyl-1-ethyl-7-(3-ketobutyl)xanthine Formula: C14H18N4O3 MolecularWeight: 290.31772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CCC(=O)C)N(C1=O)C3CC3

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CCC(=O)C)N(C1=O)C3CC3

InChI

InChI=1S/C14H18N4O3/c1-3-17-13(20)11-12(18(14(17)21)10-4-5-10)15-8-16(11)7-6-9(2)19/h8,10H,3-7H2,1-2H3