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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)OC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)OC4=CC=CC=[N+]4[O-]

InChI

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