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

Systemtic Name: ethyl 6-(1-adamantylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1-adamantylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1-adamantylthio)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1-adamantylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1-adamantylthio)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H26N2O3S/c1-2-23-16(21)14-9-19-17(22)20-15(14)10-24-18-6-11-3-12(7-18)5-13(4-11)8-18/h11-13H,2-10H2,1H3,(H2,19,20,22)