methyl 4-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=C3C=CSC3=N2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=C3C=CSC3=N2)N

InChI

InChI=1S/C15H13N3O2S2/c1-20-14(19)10-4-2-9(3-5-10)8-22-15-17-12(16)11-6-7-21-13(11)18-15/h2-7H,8H2,1H3,(H2,16,17,18)