6-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-phenyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-phenylthieno[2,3-d]pyrimidin-4-yl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C23H26N7S+ MolecularWeight: 432.56444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C23H25N7S/c1-2-6-18(7-3-1)20-16-19-21(27-17-28-22(19)31-20)24-10-5-11-29-12-14-30(15-13-29)23-25-8-4-9-26-23/h1-4,6-9,16-17H,5,10-15H2,(H,24,27,28)/p+1