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

Systemtic Name: 7-[4-(diethylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-7-[4-(diethylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-(diethylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-(diethylamino)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]-diethyl-amine Formula: C29H35N5O MolecularWeight: 469.6211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5O/c1-3-33(4-2)23-13-15-24(16-14-23)34-18-26(27-28(30)31-20-32-29(27)34)22-11-8-12-25(17-22)35-19-21-9-6-5-7-10-21/h5-12,17-18,20,23-24H,3-4,13-16,19H2,1-2H3,(H2,30,31,32)