N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7H-purin-6-amine

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7H-purin-6-amine Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7H-purin-6-amine CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-7H-purin-6-amine IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7H-purin-6-amine Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl-(7H-purin-6-yl)amine Formula: C18H24N7O+ MolecularWeight: 354.42946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H23N7O/c1-26-15-4-2-14(3-5-15)25-10-8-24(9-11-25)7-6-19-17-16-18(21-12-20-16)23-13-22-17/h2-5,12-13H,6-11H2,1H3,(H2,19,20,21,22,23)/p+1