methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC3=CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC3=CCCCC3)C(=O)OC

InChI

InChI=1S/C20H27N3O3S/c1-13-17(20(25)26-2)19(23-18(22-13)15-8-9-15)27-12-16(24)21-11-10-14-6-4-3-5-7-14/h6,15H,3-5,7-12H2,1-2H3,(H,21,24)