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

Systemtic Name: 1-[4-[[4-azanyl-5-chloranyl-6-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidin-4-ol Openeye Name: 1-[4-[[4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidin-4-ol CAS Name: 1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-ethoxyphenyl]-4-piperidinol IUPAC Name: 1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxyphenyl]piperidin-4-ol Traditional Name: 1-[4-[[4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidin-4-ol Formula: C26H33ClN6O4S MolecularWeight: 561.09602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)N

InChI

InChI=1S/C26H33ClN6O4S/c1-4-37-21-15-17(33-13-11-18(34)12-14-33)9-10-19(21)30-26-31-24(28)23(27)25(32-26)29-20-7-5-6-8-22(20)38(35,36)16(2)3/h5-10,15-16,18,34H,4,11-14H2,1-3H3,(H4,28,29,30,31,32)