1-[4-[[4-azanyl-5-chloranyl-6-[(2-methylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidin-4-ol

Systemtic Name: 1-[4-[[4-azanyl-5-chloranyl-6-[(2-methylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidin-4-ol Openeye Name: 1-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidin-4-ol CAS Name: 1-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinol IUPAC Name: 1-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-ol Traditional Name: 1-[4-[[4-amino-5-chloro-6-(2-mesylanilino)pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidin-4-ol Formula: C23H27ClN6O4S MolecularWeight: 519.01628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C)Cl)N

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C)Cl)N

InChI

InChI=1S/C23H27ClN6O4S/c1-34-18-13-14(30-11-9-15(31)10-12-30)7-8-16(18)27-23-28-21(25)20(24)22(29-23)26-17-5-3-4-6-19(17)35(2,32)33/h3-8,13,15,31H,9-12H2,1-2H3,(H4,25,26,27,28,29)