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

Systemtic Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-[[2-keto-2-(1-phenylethylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23N3O3S/c1-12(14-7-5-4-6-8-14)21-16(24)11-27-19-17(20(25)26-3)13(2)22-18(23-19)15-9-10-15/h4-8,12,15H,9-11H2,1-3H3,(H,21,24)