(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butylcyclohexane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butylcyclohexane-1-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H24N2O3S/c1-2-3-4-12-5-7-13(8-6-12)18(22)23-11-15-19-14-9-10-24-16(14)17(21)20-15/h9-10,12-13H,2-8,11H2,1H3,(H,19,20,21)