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

Systemtic Name: methyl 2-cyclopropyl-4-methyl-6-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-cyclopropyl-4-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-cyclopropyl-4-methyl-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-[[2-(isoamylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC(C)C)C(=O)OC

InChI

InChI=1S/C17H25N3O3S/c1-10(2)7-8-18-13(21)9-24-16-14(17(22)23-4)11(3)19-15(20-16)12-5-6-12/h10,12H,5-9H2,1-4H3,(H,18,21)