1-[4-ethoxy-3-(4-oxidanylidene-8-propyl-2,3-dihydro-1H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-ethoxy-3-(4-oxidanylidene-8-propyl-2,3-dihydro-1H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-ethoxy-3-(4-oxo-8-propyl-2,3-dihydro-1H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-ethoxy-3-(4-oxo-8-propyl-2,3-dihydro-1H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-ethoxy-3-(4-oxo-8-propyl-2,3-dihydro-1H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-ethoxy-3-(4-keto-8-propyl-2,3-dihydro-1H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonylisonipecotic acid Formula: C24H30N4O6S MolecularWeight: 502.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NC=C1)C(=O)NC(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)OCC

Isomeric SMILES

CCCC1=C2C(=NC=C1)C(=O)NC(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)OCC

InChI

InChI=1S/C24H30N4O6S/c1-3-5-15-8-11-25-21-20(15)26-22(27-23(21)29)18-14-17(6-7-19(18)34-4-2)35(32,33)28-12-9-16(10-13-28)24(30)31/h6-8,11,14,16,22,26H,3-5,9-10,12-13H2,1-2H3,(H,27,29)(H,30,31)