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

Systemtic Name: 4-[[4-(2,6-dimethyl-4-pyridin-3-yl-phenoxy)-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2,6-dimethyl-4-(3-pyridyl)phenoxy]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2,6-dimethyl-4-(3-pyridinyl)phenoxy]-5-methyl-2-pyrrolo[3,2-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[2,6-dimethyl-4-(3-pyridyl)phenoxy]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Formula: C27H22N6O MolecularWeight: 446.50318

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H22N6O/c1-17-13-21(20-5-4-11-29-16-20)14-18(2)25(17)34-26-24-23(10-12-33(24)3)31-27(32-26)30-22-8-6-19(15-28)7-9-22/h4-14,16H,1-3H3,(H,30,31,32)