5-(4-methylphenyl)-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-methylphenyl)-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-thieno[2,3-d]pyrimidine Openeye Name: 4-(1-oxidopyridin-1-ium-2-yl)oxy-5-(p-tolyl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-[(1-oxido-2-pyridin-1-iumyl)oxy]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-(1-oxidopyridin-1-ium-2-yl)oxythieno[2,3-d]pyrimidine Traditional Name: 4-(1-oxidopyridin-1-ium-2-yl)oxy-5-(p-tolyl)thieno[2,3-d]pyrimidine Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H13N3O2S/c1-12-5-7-13(8-6-12)14-10-24-18-16(14)17(19-11-20-18)23-15-4-2-3-9-21(15)22/h2-11H,1H3