N-pyridin-1-ium-2-yl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine

Systemtic Name: N-pyridin-1-ium-2-yl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine Openeye Name: N-pyridin-1-ium-2-yl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine CAS Name: N-(2-pyridin-1-iumyl)-N'-(4-thieno[2,3-d]pyrimidinyl)ethane-1,2-diamine IUPAC Name: N-pyridin-1-ium-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine Traditional Name: pyridin-1-ium-2-yl-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]amine Formula: C13H14N5S+ MolecularWeight: 272.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC2=C3C=CSC3=NC=N2

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC2=C3C=CSC3=NC=N2

InChI

InChI=1S/C13H13N5S/c1-2-5-14-11(3-1)15-6-7-16-12-10-4-8-19-13(10)18-9-17-12/h1-5,8-9H,6-7H2,(H,14,15)(H,16,17,18)/p+1