(5Z)-5-[(3-methyl-5-morpholin-4-ylcarbonyl-1H-pyrrol-2-yl)methylidene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: (5Z)-5-[(3-methyl-5-morpholin-4-ylcarbonyl-1H-pyrrol-2-yl)methylidene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: (5Z)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (5Z)-5-[[3-methyl-5-[4-morpholinyl(oxo)methyl]-1H-pyrrol-2-yl]methylidene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (5Z)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: (5Z)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(=O)N2CCOCC2)C=C3C4=C(NC3=O)N=CN=C4NC(C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(NC(=C1)C(=O)N2CCOCC2)/C=C\3/C4=C(NC3=O)N=CN=C4NC(C)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O3/c1-15-12-20(25(33)31-8-10-34-11-9-31)29-19(15)13-18-21-22(26-14-27-23(21)30-24(18)32)28-16(2)17-6-4-3-5-7-17/h3-7,12-14,16,29H,8-11H2,1-2H3,(H2,26,27,28,30,32)/b18-13-