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

Systemtic Name: [2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid [2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid [2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C22H22N4O6/c1-11-13-5-3-4-6-14(13)24-15(9-31-2)17(11)21(29)32-10-16(27)18-19(23)26(12-7-8-12)22(30)25-20(18)28/h3-6,12H,7-10,23H2,1-2H3,(H,25,28,30)