2-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(2-pyridin-4-ylethylamino)benzenecarbonitrile

Systemtic Name: 2-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(2-pyridin-4-ylethylamino)benzenecarbonitrile Openeye Name: 2-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-6-[2-(4-pyridyl)ethylamino]benzonitrile CAS Name: 2-[4-[4-amino-7-(4-oxanyl)-5-pyrrolo[2,3-d]pyrimidinyl]phenoxy]-6-(2-pyridin-4-ylethylamino)benzonitrile IUPAC Name: 2-[4-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-6-(2-pyridin-4-ylethylamino)benzonitrile Traditional Name: 2-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-6-[2-(4-pyridyl)ethylamino]benzonitrile Formula: C31H29N7O2 MolecularWeight: 531.60766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC(=C5C#N)NCCC6=CC=NC=C6

Isomeric SMILES

C1COCCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC(=C5C#N)NCCC6=CC=NC=C6

InChI

InChI=1S/C31H29N7O2/c32-18-25-27(35-15-10-21-8-13-34-14-9-21)2-1-3-28(25)40-24-6-4-22(5-7-24)26-19-38(23-11-16-39-17-12-23)31-29(26)30(33)36-20-37-31/h1-9,13-14,19-20,23,35H,10-12,15-17H2,(H2,33,36,37)