ethyl (4S)-6-(2-adamantylcarbonyloxymethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-(2-adamantylcarbonyloxymethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(adamantane-2-carbonyloxymethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-adamantyl(oxo)methoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(adamantane-2-carbonyloxymethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(adamantane-2-carbonyloxymethyl)-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2C3CC4CC(C3)CC2C4)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2C3CC4CC(C3)CC2C4)C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-3-15-18(20(25)27-4-2)16(23-21(26)22-15)10-28-19(24)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,3-10H2,1-2H3,(H2,22,23,26)/t11?,12?,13?,14?,15-,17?/m0/s1