N6-[2-(4-phenylphenoxy)ethyl]-9-propan-2-yl-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine

Systemtic Name: N6-[2-(4-phenylphenoxy)ethyl]-9-propan-2-yl-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine Openeye Name: 9-isopropyl-N6-[2-(4-phenylphenoxy)ethyl]-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine CAS Name: N6-[2-(4-phenylphenoxy)ethyl]-9-propan-2-yl-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine IUPAC Name: 6-N-[2-(4-phenylphenoxy)ethyl]-9-propan-2-yl-2-N-[4-(propylamino)cyclohexyl]purine-2,6-diamine Traditional Name: [9-isopropyl-6-[2-(4-phenylphenoxy)ethylamino]purin-2-yl]-[4-(propylamino)cyclohexyl]amine Formula: C31H41N7O MolecularWeight: 527.70354

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCCOC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCCOC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C31H41N7O/c1-4-18-32-25-12-14-26(15-13-25)35-31-36-29(28-30(37-31)38(21-34-28)22(2)3)33-19-20-39-27-16-10-24(11-17-27)23-8-6-5-7-9-23/h5-11,16-17,21-22,25-26,32H,4,12-15,18-20H2,1-3H3,(H2,33,35,36,37)