2-[[5-chloranyl-2-[[2-methoxy-5-methyl-4-(3-methylsulfonylphenyl)phenyl]amino]pyrimidin-4-yl]amino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[[5-chloranyl-2-[[2-methoxy-5-methyl-4-(3-methylsulfonylphenyl)phenyl]amino]pyrimidin-4-yl]amino]-N-cyclopropyl-benzamide Openeye Name: 2-[[5-chloro-2-[2-methoxy-5-methyl-4-(3-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[5-chloro-2-[2-methoxy-5-methyl-4-(3-methylsulfonylphenyl)anilino]-4-pyrimidinyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[5-chloro-2-[2-methoxy-5-methyl-4-(3-methylsulfonylphenyl)anilino]pyrimidin-4-yl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[5-chloro-2-[4-(3-mesylphenyl)-2-methoxy-5-methyl-anilino]pyrimidin-4-yl]amino]-N-cyclopropyl-benzamide Formula: C29H28ClN5O4S MolecularWeight: 578.08172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)OC)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC5CC5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)OC)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC5CC5)Cl

InChI

InChI=1S/C29H28ClN5O4S/c1-17-13-25(26(39-2)15-22(17)18-7-6-8-20(14-18)40(3,37)38)34-29-31-16-23(30)27(35-29)33-24-10-5-4-9-21(24)28(36)32-19-11-12-19/h4-10,13-16,19H,11-12H2,1-3H3,(H,32,36)(H2,31,33,34,35)