methyl 6-methyl-4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(isoamylamino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NCCC(C)C)C(=O)OC

InChI

InChI=1S/C14H21N3O4S/c1-8(2)5-6-15-10(18)7-22-12-11(13(19)21-4)9(3)16-14(20)17-12/h8H,5-7H2,1-4H3,(H,15,18)(H,16,17,20)