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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-(4-amino-1-benzyl-3-methyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[6-amino-1-methyl-2,4-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1-benzyl-3-methyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-(4-amino-1-benzyl-2,6-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)N

InChI

InChI=1S/C27H24N4O5/c1-30-24(28)23(25(33)31(27(30)35)14-16-7-3-2-4-8-16)22(32)15-36-26(34)19-13-21(17-11-12-17)29-20-10-6-5-9-18(19)20/h2-10,13,17H,11-12,14-15,28H2,1H3