N-methyl-2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-methyl-2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-methyl-2-[4-[2-methylsulfanyl-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetamide CAS Name: N-methyl-2-[4-[[2-(methylthio)-4-[4-(4-morpholinyl)anilino]-5-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-methyl-2-[4-[2-methylsulfanyl-4-(4-morpholin-4-ylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetamide Traditional Name: N-methyl-2-[4-[2-(methylthio)-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazino]acetamide Formula: C23H31N7O3S MolecularWeight: 485.60234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O3S/c1-24-20(31)16-28-7-9-30(10-8-28)22(32)19-15-25-23(34-2)27-21(19)26-17-3-5-18(6-4-17)29-11-13-33-14-12-29/h3-6,15H,7-14,16H2,1-2H3,(H,24,31)(H,25,26,27)