8-[[5-chloranyl-2-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 8-[[5-chloranyl-2-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 8-[[5-chloro-2-(2-methoxy-4-morpholino-anilino)pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 8-[[5-chloro-2-[2-methoxy-4-(4-morpholinyl)anilino]-4-pyrimidinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 8-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 8-[[5-chloro-2-(2-methoxy-4-morpholino-anilino)pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisocarbostyril Formula: C25H27ClN6O3 MolecularWeight: 494.97328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)C(=CC=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)N5CCOCC5)OC

Isomeric SMILES

CN1CCC2=C(C1=O)C(=CC=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)N5CCOCC5)OC

InChI

InChI=1S/C25H27ClN6O3/c1-31-9-8-16-4-3-5-20(22(16)24(31)33)28-23-18(26)15-27-25(30-23)29-19-7-6-17(14-21(19)34-2)32-10-12-35-13-11-32/h3-7,14-15H,8-13H2,1-2H3,(H2,27,28,29,30)