methyl 4-methyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 2-isopropyl-4-methyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-2-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-2-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 2-isopropyl-4-[[2-keto-2-(propargylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC(=O)NCC#C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC(=O)NCC#C)C(=O)OC

InChI

InChI=1S/C15H19N3O3S/c1-6-7-16-11(19)8-22-14-12(15(20)21-5)10(4)17-13(18-14)9(2)3/h1,9H,7-8H2,2-5H3,(H,16,19)