2-methylpropyl (4R)-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: 2-methylpropyl (4R)-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: isobutyl (4R)-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: (4R)-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 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R)-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: (4R)-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 isobutyl ester Formula: C18H20ClN4O4+ MolecularWeight: 391.8288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(NC3=CC=CC=[N+]3C2=O)Cl)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=C(NC3=CC=CC=[N+]3C2=O)Cl)C(=O)OCC(C)C

InChI

InChI=1S/C18H19ClN4O4/c1-9(2)8-27-17(25)12-10(3)20-18(26)22-14(12)13-15(19)21-11-6-4-5-7-23(11)16(13)24/h4-7,9,14H,8H2,1-3H3,(H2,20,22,25,26)/p+1/t14-/m1/s1