phenyl 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C14H13N3O3S3 MolecularWeight: 367.46632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC(=C3C=CSC3=N2)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC(=C3C=CSC3=N2)N

InChI

InChI=1S/C14H13N3O3S3/c15-12-11-6-7-21-13(11)17-14(16-12)22-8-9-23(18,19)20-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,16,17)