4-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-keto-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O4S2/c1-4-10(2)7-14-11(3)30-19-16(14)18(26)22-20(23-19)29-9-13-6-5-12(17(21)25)8-15(13)24(27)28/h5-6,8,10H,4,7,9H2,1-3H3,(H2,21,25)(H,22,23,26)