5-(4-bromophenyl)-N-(pyridin-1-ium-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-bromophenyl)-N-(pyridin-1-ium-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-bromophenyl)-N-(pyridin-1-ium-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-bromophenyl)-N-(3-pyridin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-bromophenyl)-N-(pyridin-1-ium-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-(pyridin-1-ium-3-ylmethyl)amine Formula: C18H14BrN4S+ MolecularWeight: 398.29956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CNC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=C[NH+]=C1)CNC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H13BrN4S/c19-14-5-3-13(4-6-14)15-10-24-18-16(15)17(22-11-23-18)21-9-12-2-1-7-20-8-12/h1-8,10-11H,9H2,(H,21,22,23)/p+1