N'-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: [2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C18H18N5S2+ MolecularWeight: 368.49902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)NCCNC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)NCCNC4=CC=CC=[NH+]4

InChI

InChI=1S/C18H17N5S2/c1-12-22-17(21-9-8-20-15-6-2-3-7-19-15)16-13(11-25-18(16)23-12)14-5-4-10-24-14/h2-7,10-11H,8-9H2,1H3,(H,19,20)(H,21,22,23)/p+1