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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c21-13(22)5-2-6-17-15-14-12(8-25-16(14)19-9-18-15)10-3-1-4-11(7-10)20(23)24/h1,3-4,7-9H,2,5-6H2,(H,21,22)(H,17,18,19)/p-1