7-[3-(aminomethyl)pyridin-2-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[3-(aminomethyl)pyridin-2-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[3-(aminomethyl)-2-pyridyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[3-(aminomethyl)-2-pyridinyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[3-(aminomethyl)pyridin-2-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-[3-(aminomethyl)-2-pyridyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C24H20N6O MolecularWeight: 408.4552

Click to see the large picture

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)CN

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O/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,13,25H2,(H2,26,28,29)