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

Systemtic Name: N-cyclopropyl-2-[4-[2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidin-5-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-methylsulfanyl-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-(methylthio)-4-[4-(4-morpholinyl)anilino]-5-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-methylsulfanyl-4-(4-morpholin-4-ylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(methylthio)-4-(4-morpholinoanilino)pyrimidine-5-carbonyl]piperazino]acetamide Formula: C25H33N7O3S MolecularWeight: 511.63962

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCOCC3)C(=O)N4CCN(CC4)CC(=O)NC5CC5

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCOCC3)C(=O)N4CCN(CC4)CC(=O)NC5CC5

InChI

InChI=1S/C25H33N7O3S/c1-36-25-26-16-21(24(34)32-10-8-30(9-11-32)17-22(33)27-18-2-3-18)23(29-25)28-19-4-6-20(7-5-19)31-12-14-35-15-13-31/h4-7,16,18H,2-3,8-15,17H2,1H3,(H,27,33)(H,26,28,29)