4-[8-(acridin-9-ylamino)octylsulfanylmethyl]acridin-9-amine dihydrochloride

Systemtic Name: 4-[8-(acridin-9-ylamino)octylsulfanylmethyl]acridin-9-amine dihydrochloride Openeye Name: 4-[8-(acridin-9-ylamino)octylsulfanylmethyl]acridin-9-amine dihydrochloride CAS Name: 4-[[8-(9-acridinylamino)octylthio]methyl]-9-acridinamine dihydrochloride IUPAC Name: 4-[8-(acridin-9-ylamino)octylsulfanylmethyl]acridin-9-amine dihydrochloride Traditional Name: acridin-9-yl-[8-[(9-aminoacridin-4-yl)methylthio]octyl]amine dihydrochloride Formula: C35H38Cl2N4S MolecularWeight: 617.67402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)CSCCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)CSCCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)N.Cl.Cl

InChI

InChI=1S/C35H36N4S.2ClH/c36-33-26-15-5-8-19-30(26)39-34-25(14-13-18-29(33)34)24-40-23-12-4-2-1-3-11-22-37-35-27-16-6-9-20-31(27)38-32-21-10-7-17-28(32)35;;/h5-10,13-21H,1-4,11-12,22-24H2,(H2,36,39)(H,37,38);2*1H