N9-[3-[3-[2-(6-aminopurin-9-yl)ethylamino]propylamino]propyl]-7-ethoxy-acridine-3,9-diamine

Systemtic Name: N9-[3-[3-[2-(6-aminopurin-9-yl)ethylamino]propylamino]propyl]-7-ethoxy-acridine-3,9-diamine Openeye Name: N9-[3-[3-[2-(6-aminopurin-9-yl)ethylamino]propylamino]propyl]-7-ethoxy-acridine-3,9-diamine CAS Name: N9-[3-[3-[2-(6-aminopurin-9-yl)ethylamino]propylamino]propyl]-7-ethoxyacridine-3,9-diamine IUPAC Name: 9-N-[3-[3-[2-(6-aminopurin-9-yl)ethylamino]propylamino]propyl]-7-ethoxyacridine-3,9-diamine Traditional Name: 2-adenin-9-ylethyl-[3-[3-[(6-amino-2-ethoxy-acridin-9-yl)amino]propylamino]propyl]amine Formula: C28H36N10O MolecularWeight: 528.65184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)NCCCNCCCNCCN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)NCCCNCCCNCCN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C28H36N10O/c1-2-39-20-6-8-23-22(16-20)25(21-7-5-19(29)15-24(21)37-23)33-12-4-11-31-9-3-10-32-13-14-38-18-36-26-27(30)34-17-35-28(26)38/h5-8,15-18,31-32H,2-4,9-14,29H2,1H3,(H,33,37)(H2,30,34,35)