9-methoxy-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid

Systemtic Name: 9-methoxy-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 9-methoxy-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 9-methoxy-3-(2-pyrimidinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 9-methoxy-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 9-methoxy-3-(2-pyrimidyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C3N2CCN(C3)C4=NC=CC=N4)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CC(C3N2CCN(C3)C4=NC=CC=N4)C(=O)O)C=C1

InChI

InChI=1S/C18H20N4O3/c1-25-13-4-3-12-9-14(17(23)24)16-11-21(18-19-5-2-6-20-18)7-8-22(16)15(12)10-13/h2-6,10,14,16H,7-9,11H2,1H3,(H,23,24)