2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]nicotinonitrile Formula: C24H16N6O MolecularWeight: 404.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5=C(C=CC=N5)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5=C(C=CC=N5)C#N

InChI

InChI=1S/C24H16N6O/c25-13-17-5-4-12-27-23(17)30-14-20(21-22(26)28-15-29-24(21)30)16-8-10-19(11-9-16)31-18-6-2-1-3-7-18/h1-12,14-15H,(H2,26,28,29)