ethyl (4R)-6-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H26N6O3S MolecularWeight: 394.49174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H26N6O3S/c1-3-26-15(24)13-10(2)19-16(25)20-12(13)9-27-17-22-21-14(23(17)18)11-7-5-4-6-8-11/h10-11H,3-9,18H2,1-2H3,(H2,19,20,25)/t10-/m1/s1