2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=NC=NC(=C23)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=NC=NC(=C23)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C14H10N4O4S/c19-11(20)5-15-13-12-10(6-23-14(12)17-7-16-13)8-2-1-3-9(4-8)18(21)22/h1-4,6-7H,5H2,(H,19,20)(H,15,16,17)