1-(4-nitrophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol

Systemtic Name: 1-(4-nitrophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol Openeye Name: 1-(4-nitrophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol CAS Name: 1-(4-nitrophenyl)-2-(4-thieno[2,3-d]pyrimidinylamino)propane-1,3-diol IUPAC Name: 1-(4-nitrophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol Traditional Name: 1-(4-nitrophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC2=C3C=CSC3=NC=N2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC2=C3C=CSC3=NC=N2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c20-7-12(13(21)9-1-3-10(4-2-9)19(22)23)18-14-11-5-6-24-15(11)17-8-16-14/h1-6,8,12-13,20-21H,7H2,(H,16,17,18)