[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C19H18N4O5/c1-2-9-23-16(20)15(17(25)22-19(23)27)14(24)10-28-18(26)13-8-7-11-5-3-4-6-12(11)21-13/h3-8H,2,9-10,20H2,1H3,(H,22,25,27)