ethyl 4-(4-methoxyphenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(pentylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(amylthio)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H28N2O3S/c1-5-7-8-13-26-20-21-14(3)17(19(23)25-6-2)18(22-20)15-9-11-16(24-4)12-10-15/h9-12,18H,5-8,13H2,1-4H3,(H,21,22)