ethyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride CAS Name: 4-[4-(4-methyl-1-piperazinyl)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate hydrochloride Traditional Name: 4-[4-(4-methylpiperazino)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C19H26ClN5O2S MolecularWeight: 423.96004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCN(CC3)C)SC.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCN(CC3)C)SC.Cl

InChI

InChI=1S/C19H25N5O2S.ClH/c1-4-26-18(25)16-13-20-19(27-3)22-17(16)21-14-5-7-15(8-6-14)24-11-9-23(2)10-12-24;/h5-8,13H,4,9-12H2,1-3H3,(H,20,21,22);1H