N-(4-acetamidocyclohexyl)-4-[[4-azanyl-5-chloranyl-6-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-methoxy-benzamide

Systemtic Name: N-(4-acetamidocyclohexyl)-4-[[4-azanyl-5-chloranyl-6-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-methoxy-benzamide Openeye Name: N-(4-acetamidocyclohexyl)-4-[[4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxy-benzamide CAS Name: N-(4-acetamidocyclohexyl)-4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxybenzamide IUPAC Name: N-(4-acetamidocyclohexyl)-4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxybenzamide Traditional Name: N-(4-acetamidocyclohexyl)-4-[[4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxy-benzamide Formula: C29H36ClN7O5S MolecularWeight: 630.15804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)NC(=O)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)NC(=O)C)OC

InChI

InChI=1S/C29H36ClN7O5S/c1-16(2)43(40,41)24-8-6-5-7-22(24)34-27-25(30)26(31)36-29(37-27)35-21-14-9-18(15-23(21)42-4)28(39)33-20-12-10-19(11-13-20)32-17(3)38/h5-9,14-16,19-20H,10-13H2,1-4H3,(H,32,38)(H,33,39)(H4,31,34,35,36,37)