4-[(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S2/c1-9(2)22-18(25)15-10(3)11(4)29-17(15)21-19(22)28-8-13-6-5-12(16(20)24)7-14(13)23(26)27/h5-7,9H,8H2,1-4H3,(H2,20,24)