[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N

InChI

InChI=1S/C24H22N4O5S/c1-3-10-28-21(25)20(22(30)27(2)24(28)32)18(29)13-33-23(31)15-12-17(19-9-6-11-34-19)26-16-8-5-4-7-14(15)16/h4-9,11-12H,3,10,13,25H2,1-2H3