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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCC(=O)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCC(=O)C

InChI

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