(5Z)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: (5Z)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: (5Z)-4-(3-chloro-4-fluoro-anilino)-5-[[3-methyl-5-(2-morpholinoethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylene]-7H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[2-(4-morpholinyl)ethyl]-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: (5Z)-4-(3-chloro-4-fluoro-anilino)-5-[[4-keto-3-methyl-5-(2-morpholinoethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylene]-7H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C27H27ClFN7O3 MolecularWeight: 551.999783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)N(CC2)CCN3CCOCC3)C=C4C5=C(NC4=O)N=CN=C5NC6=CC(=C(C=C6)F)Cl

Isomeric SMILES

CC1=C(NC2=C1C(=O)N(CC2)CCN3CCOCC3)/C=C\4/C5=C(NC4=O)N=CN=C5NC6=CC(=C(C=C6)F)Cl

InChI

InChI=1S/C27H27ClFN7O3/c1-15-21(33-20-4-5-36(27(38)22(15)20)7-6-35-8-10-39-11-9-35)13-17-23-24(30-14-31-25(23)34-26(17)37)32-16-2-3-19(29)18(28)12-16/h2-3,12-14,33H,4-11H2,1H3,(H2,30,31,32,34,37)/b17-13-