ethyl 2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[2-methylsulfanyl-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[2-(methylthio)-4-[4-(4-morpholinyl)anilino]-5-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-methylsulfanyl-4-(4-morpholin-4-ylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-(methylthio)-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazino]acetic acid ethyl ester Formula: C24H32N6O4S MolecularWeight: 500.61368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC=C(C=C3)N4CCOCC4)SC

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC=C(C=C3)N4CCOCC4)SC

InChI

InChI=1S/C24H32N6O4S/c1-3-34-21(31)17-28-8-10-30(11-9-28)23(32)20-16-25-24(35-2)27-22(20)26-18-4-6-19(7-5-18)29-12-14-33-15-13-29/h4-7,16H,3,8-15,17H2,1-2H3,(H,25,26,27)