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

Systemtic Name: 7-[4-(aminomethyl)-4-azanyl-cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[4-amino-4-(aminomethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-amino-4-(aminomethyl)cyclohexyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-amino-4-(aminomethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-[4-amino-4-(aminomethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C25H28N6O MolecularWeight: 428.52942

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O/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,10-13,15,26,28H2,(H2,27,29,30)