3-[[2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol Openeye Name: 3-[[2-(5-nitro-2-furyl)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol CAS Name: 3-[[2-(5-nitro-2-furanyl)-4-thieno[2,3-d]pyrimidinyl]amino]propane-1,2-diol IUPAC Name: 3-[[2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol Traditional Name: 3-[[2-(5-nitro-2-furyl)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=NC(=NC(=C21)NCC(CO)O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC2=NC(=NC(=C21)NCC(CO)O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c18-6-7(19)5-14-11-8-3-4-23-13(8)16-12(15-11)9-1-2-10(22-9)17(20)21/h1-4,7,18-19H,5-6H2,(H,14,15,16)