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

Systemtic Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-[[2-oxo-2-(phenethylamino)ethyl]thio]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-cyclopropyl-4-methyl-6-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-[[2-keto-2-(phenethylamino)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)NCCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23N3O3S/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/h3-7,15H,8-12H2,1-2H3,(H,21,24)