2-chloranyl-N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-benzamide Formula: C15H11ClN4O4S MolecularWeight: 378.79024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN4O4S/c1-2-9-6-11-14(25-9)17-7-19(15(11)22)18-13(21)10-4-3-8(20(23)24)5-12(10)16/h3-7H,2H2,1H3,(H,18,21)