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

Systemtic Name: methyl 4-[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-keto-2-piperidino-ethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-13-18(20(26)28-3)19(23-21(30)22-13)14-7-8-15(16(11-14)27-2)29-12-17(25)24-9-5-4-6-10-24/h7-8,11,19H,4-6,9-10,12H2,1-3H3,(H2,22,23,30)