4-[[4-(2,6-dimethyl-4-thiophen-2-yl-phenoxy)-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,6-dimethyl-4-thiophen-2-yl-phenoxy)-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2,6-dimethyl-4-(2-thienyl)phenoxy]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-2-pyrrolo[3,2-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[2,6-dimethyl-4-(2-thienyl)phenoxy]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC3=C2N(C=C3)C)NC4=CC=C(C=C4)C#N)C)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC3=C2N(C=C3)C)NC4=CC=C(C=C4)C#N)C)C5=CC=CS5

InChI

InChI=1S/C26H21N5OS/c1-16-13-19(22-5-4-12-33-22)14-17(2)24(16)32-25-23-21(10-11-31(23)3)29-26(30-25)28-20-8-6-18(15-27)7-9-20/h4-14H,1-3H3,(H,28,29,30)