2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone Openeye Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-1-(3-methoxyphenyl)ethanone Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC(=C3C=CSC3=N2)N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC(=C3C=CSC3=N2)N

InChI

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