methyl 6-methyl-4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-[2-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[2-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-(2-keto-2-piperidino-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-13-17(19(25)26-2)18(22-20(28)21-13)14-8-4-5-9-15(14)27-12-16(24)23-10-6-3-7-11-23/h4-5,8-9,18H,3,6-7,10-12H2,1-2H3,(H2,21,22,28)