5,6-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)oxy-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[(1-oxido-2-pyridin-1-iumyl)oxy]-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)oxy-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)oxy-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=[N+]3[O-])CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=[N+]3[O-])CSC4=CC=CC=C4)C

InChI

InChI=1S/C20H17N3O2S2/c1-13-14(2)27-20-18(13)19(25-17-10-6-7-11-23(17)24)21-16(22-20)12-26-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3