7-[4-(dimethylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[4-(dimethylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-7-[4-(dimethylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-(dimethylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-(dimethylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-dimethyl-amine Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CN(C)C1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O/c1-31(2)21-11-13-22(14-12-21)32-16-24(25-26(28)29-18-30-27(25)32)20-9-6-10-23(15-20)33-17-19-7-4-3-5-8-19/h3-10,15-16,18,21-22H,11-14,17H2,1-2H3,(H2,28,29,30)