ethyl 2-methylsulfanyl-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 2-methylsulfanyl-4-(4-propoxyanilino)pyrimidine-5-carboxylate hydrochloride CAS Name: 2-(methylthio)-4-(4-propoxyanilino)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-methylsulfanyl-4-(4-propoxyanilino)pyrimidine-5-carboxylate hydrochloride Traditional Name: 2-(methylthio)-4-(4-propoxyanilino)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC.Cl

InChI

InChI=1S/C17H21N3O3S.ClH/c1-4-10-23-13-8-6-12(7-9-13)19-15-14(16(21)22-5-2)11-18-17(20-15)24-3;/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20);1H