3-[methyl-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate

Systemtic Name: 3-[methyl-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate Openeye Name: 3-[methyl-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[methyl-[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoate IUPAC Name: 3-[methyl-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[methyl-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propionate Formula: C16H13N4O4S- MolecularWeight: 357.36382

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)[O-])C1=C2C(=CSC2=NC=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC(=O)[O-])C1=C2C(=CSC2=NC=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-19(6-5-13(21)22)15-14-12(8-25-16(14)18-9-17-15)10-3-2-4-11(7-10)20(23)24/h2-4,7-9H,5-6H2,1H3,(H,21,22)/p-1