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

Systemtic Name: 1-[4-[[4-azanyl-5-chloranyl-6-[(2-methylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-propan-2-yloxy-phenyl]piperidin-4-ol Openeye Name: 1-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)pyrimidin-2-yl]amino]-3-isopropoxy-phenyl]piperidin-4-ol CAS Name: 1-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)-2-pyrimidinyl]amino]-3-propan-2-yloxyphenyl]-4-piperidinol IUPAC Name: 1-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)pyrimidin-2-yl]amino]-3-propan-2-yloxyphenyl]piperidin-4-ol Traditional Name: 1-[4-[[4-amino-5-chloro-6-(2-mesylanilino)pyrimidin-2-yl]amino]-3-isopropoxy-phenyl]piperidin-4-ol Formula: C25H31ClN6O4S MolecularWeight: 547.06944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C)Cl)N

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C)Cl)N

InChI

InChI=1S/C25H31ClN6O4S/c1-15(2)36-20-14-16(32-12-10-17(33)11-13-32)8-9-18(20)29-25-30-23(27)22(26)24(31-25)28-19-6-4-5-7-21(19)37(3,34)35/h4-9,14-15,17,33H,10-13H2,1-3H3,(H4,27,28,29,30,31)