7-[4-(3-imidazol-1-ylpropylamino)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[4-(3-imidazol-1-ylpropylamino)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[4-(3-imidazol-1-ylpropylamino)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-[3-(1-imidazolyl)propylamino]cyclohexyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-(3-imidazol-1-ylpropylamino)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-(3-imidazol-1-ylpropyl)amine Formula: C30H33N7O MolecularWeight: 507.62932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCCCN2C=CN=C2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1NCCCN2C=CN=C2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C30H33N7O/c31-29-28-27(22-7-13-26(14-8-22)38-25-5-2-1-3-6-25)19-37(30(28)35-20-34-29)24-11-9-23(10-12-24)33-15-4-17-36-18-16-32-21-36/h1-3,5-8,13-14,16,18-21,23-24,33H,4,9-12,15,17H2,(H2,31,34,35)