1-(aminomethyl)-4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol

Systemtic Name: 1-(aminomethyl)-4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol Openeye Name: 1-(aminomethyl)-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanol CAS Name: 1-(aminomethyl)-4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanol IUPAC Name: 1-(aminomethyl)-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol Traditional Name: 1-(aminomethyl)-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanol Formula: C25H27N5O2 MolecularWeight: 429.51418

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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)(CN)O

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2/c26-15-25(31)12-10-18(11-13-25)30-14-21(22-23(27)28-16-29-24(22)30)17-6-8-20(9-7-17)32-19-4-2-1-3-5-19/h1-9,14,16,18,31H,10-13,15,26H2,(H2,27,28,29)