N-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-3-nitro-benzamide Openeye Name: N-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3-nitro-benzamide CAS Name: N-[2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-3-nitro-benzamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c1-2-12-7-13-16(18-9-19-17(13)27-12)26-8-14(22)20-15(23)10-4-3-5-11(6-10)21(24)25/h3-7,9H,2,8H2,1H3,(H,20,22,23)