methyl 4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-[[2-keto-2-(sec-butylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=NC(=C1C(=O)OC)C)C2CC2

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=NC(=C1C(=O)OC)C)C2CC2

InChI

InChI=1S/C16H23N3O3S/c1-5-9(2)17-12(20)8-23-15-13(16(21)22-4)10(3)18-14(19-15)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,17,20)