2-[4-[4-(2-azanylpyrimidin-5-yl)phenyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2-azanylpyrimidin-5-yl)phenyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-amino-5-pyrimidinyl)phenyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexyl]isoindoline-1,3-quinone Formula: C36H36N4O4 MolecularWeight: 588.69544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C6=CN=C(N=C6)N)OC7CCCC7

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C6=CN=C(N=C6)N)OC7CCCC7

InChI

InChI=1S/C36H36N4O4/c1-43-31-15-14-26(20-32(31)44-28-6-2-3-7-28)36(25-12-10-23(11-13-25)24-21-38-35(37)39-22-24)18-16-27(17-19-36)40-33(41)29-8-4-5-9-30(29)34(40)42/h4-5,8-15,20-22,27-28H,2-3,6-7,16-19H2,1H3,(H2,37,38,39)