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

Systemtic Name: 4-[[4-azanyl-5-chloranyl-6-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-N-(3-azanylcyclohexyl)-3-methoxy-benzamide Openeye Name: 4-[[4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-N-(3-aminocyclohexyl)-3-methoxy-benzamide CAS Name: 4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-N-(3-aminocyclohexyl)-3-methoxybenzamide IUPAC Name: 4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(3-aminocyclohexyl)-3-methoxybenzamide Traditional Name: 4-[[4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-N-(3-aminocyclohexyl)-3-methoxy-benzamide Formula: C27H34ClN7O4S MolecularWeight: 588.12136

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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)NC4CCCC(C4)N)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)C(=O)NC4CCCC(C4)N)OC

InChI

InChI=1S/C27H34ClN7O4S/c1-15(2)40(37,38)22-10-5-4-9-20(22)32-25-23(28)24(30)34-27(35-25)33-19-12-11-16(13-21(19)39-3)26(36)31-18-8-6-7-17(29)14-18/h4-5,9-13,15,17-18H,6-8,14,29H2,1-3H3,(H,31,36)(H4,30,32,33,34,35)