1-azanyl-4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carbonitrile

Systemtic Name: 1-azanyl-4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carbonitrile Openeye Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanecarbonitrile CAS Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carbonitrile Traditional Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanecarbonitrile Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(C#N)N

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(C#N)N

InChI

InChI=1S/C25H24N6O/c26-15-25(28)12-10-18(11-13-25)31-14-21(22-23(27)29-16-30-24(22)31)17-6-8-20(9-7-17)32-19-4-2-1-3-5-19/h1-9,14,16,18H,10-13,28H2,(H2,27,29,30)