4-[[5-chloranyl-4-[[2-(cyclopropylcarbonylamino)phenyl]amino]pyrimidin-2-yl]amino]-N-cyclohexyl-benzamide

Systemtic Name: 4-[[5-chloranyl-4-[[2-(cyclopropylcarbonylamino)phenyl]amino]pyrimidin-2-yl]amino]-N-cyclohexyl-benzamide Openeye Name: 4-[[5-chloro-4-[2-(cyclopropanecarbonylamino)anilino]pyrimidin-2-yl]amino]-N-cyclohexyl-benzamide CAS Name: 4-[[5-chloro-4-[2-[[cyclopropyl(oxo)methyl]amino]anilino]-2-pyrimidinyl]amino]-N-cyclohexylbenzamide IUPAC Name: 4-[[5-chloro-4-[2-(cyclopropanecarbonylamino)anilino]pyrimidin-2-yl]amino]-N-cyclohexylbenzamide Traditional Name: 4-[[5-chloro-4-[2-(cyclopropanecarbonylamino)anilino]pyrimidin-2-yl]amino]-N-cyclohexyl-benzamide Formula: C27H29ClN6O2 MolecularWeight: 505.01116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C5CC5)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C5CC5)Cl

InChI

InChI=1S/C27H29ClN6O2/c28-21-16-29-27(31-20-14-12-18(13-15-20)25(35)30-19-6-2-1-3-7-19)34-24(21)32-22-8-4-5-9-23(22)33-26(36)17-10-11-17/h4-5,8-9,12-17,19H,1-3,6-7,10-11H2,(H,30,35)(H,33,36)(H2,29,31,32,34)