3-[4-azanyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropyl-dimethyl-azanium

Systemtic Name: 3-[4-azanyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropyl-dimethyl-azanium Openeye Name: 3-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[[4-amino-5-(4-methoxyphenyl)-2-thieno[2,3-d]pyrimidinyl]thio]propyl-dimethylammonium IUPAC Name: 3-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropyl-dimethylazanium Traditional Name: 3-[[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]thio]propyl-dimethyl-ammonium Formula: C18H23N4OS2+ MolecularWeight: 375.53142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N

Isomeric SMILES

C[NH+](C)CCCSC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N

InChI

InChI=1S/C18H22N4OS2/c1-22(2)9-4-10-24-18-20-16(19)15-14(11-25-17(15)21-18)12-5-7-13(23-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,21)/p+1