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

Systemtic Name: ethyl (4R)-6-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(5-cyclohexyl-4-prop-2-enyl-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-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(4-allyl-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: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C20H29N5O3S/c1-4-11-25-17(14-9-7-6-8-10-14)23-24-20(25)29-12-15-16(18(26)28-5-2)13(3)21-19(27)22-15/h4,13-14H,1,5-12H2,2-3H3,(H2,21,22,27)/t13-/m1/s1