3-phenylpropyl 2-methylsulfanyl-6-(1-piperidin-1-ylethoxymethyl)-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-6-(1-piperidin-1-ylethoxymethyl)-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-6-[1-(1-piperidyl)ethoxymethyl]-4-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-[1-(1-piperidinyl)ethoxymethyl]-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-6-(1-piperidin-1-ylethoxymethyl)-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-6-(1-piperidinoethoxymethyl)-4-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C27H35N3O3S2 MolecularWeight: 513.7151

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCC1)OCC2=C(C(N=C(N2)SC)C3=CC=CS3)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC(N1CCCCC1)OCC2=C(C(N=C(N2)SC)C3=CC=CS3)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3S2/c1-20(30-15-7-4-8-16-30)33-19-22-24(25(23-14-10-18-35-23)29-27(28-22)34-2)26(31)32-17-9-13-21-11-5-3-6-12-21/h3,5-6,10-12,14,18,20,25H,4,7-9,13,15-17,19H2,1-2H3,(H,28,29)