ethyl (4S)-4-(2-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(2-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN4O4+ MolecularWeight: 363.77564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(NC3=CC=CC=[N+]3C2=O)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=C(NC3=CC=CC=[N+]3C2=O)Cl)C

InChI

InChI=1S/C16H15ClN4O4/c1-3-25-15(23)10-8(2)18-16(24)20-12(10)11-13(17)19-9-6-4-5-7-21(9)14(11)22/h4-7,12H,3H2,1-2H3,(H2,18,20,23,24)/p+1/t12-/m0/s1