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

Systemtic Name: [(1R,3S)-3-methylcyclohexyl] (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(1R,3S)-3-methylcyclohexyl] (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,3S)-3-methylcyclohexyl] ester IUPAC Name: [(1R,3S)-3-methylcyclohexyl] (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,3S)-3-methylcyclohexyl] ester Formula: C20H23BrN2O5 MolecularWeight: 451.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

C[C@H]1CCC[C@H](C1)OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C20H23BrN2O5/c1-10-4-3-5-12(6-10)28-19(24)17-11(2)22-20(25)23-18(17)13-7-15-16(8-14(13)21)27-9-26-15/h7-8,10,12,18H,3-6,9H2,1-2H3,(H2,22,23,25)/t10-,12+,18+/m0/s1