N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C4C=CSC4=NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C20H25N5OS/c1-26-17-5-3-16(4-6-17)25-12-10-24(11-13-25)9-2-8-21-19-18-7-14-27-20(18)23-15-22-19/h3-7,14-15H,2,8-13H2,1H3,(H,21,22,23)/p+1