5-(4-phenoxyphenyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-phenoxyphenyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[4-(4-isopropylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-phenoxyphenyl)-7-[4-(4-propan-2-yl-1-piperazinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(4-phenoxyphenyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-[4-(4-isopropylpiperazino)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC(C)N1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H38N6O/c1-22(2)35-16-18-36(19-17-35)24-10-12-25(13-11-24)37-20-28(29-30(32)33-21-34-31(29)37)23-8-14-27(15-9-23)38-26-6-4-3-5-7-26/h3-9,14-15,20-22,24-25H,10-13,16-19H2,1-2H3,(H2,32,33,34)