[(1R,2S)-2-methylcyclopentyl] (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [(1R,2S)-2-methylcyclopentyl] (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(1R,2S)-2-methylcyclopentyl] (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(1R,2S)-2-methylcyclopentyl] ester IUPAC Name: [(1R,2S)-2-methylcyclopentyl] (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(1R,2S)-2-methylcyclopentyl] ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1OC(=O)C2=C(NC(=O)NC2C3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

C[C@H]1CCC[C@H]1OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C19H21BrN2O5/c1-9-4-3-5-13(9)27-18(23)16-10(2)21-19(24)22-17(16)11-6-14-15(7-12(11)20)26-8-25-14/h6-7,9,13,17H,3-5,8H2,1-2H3,(H2,21,22,24)/t9-,13+,17+/m0/s1