3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C18H18N4O4S/c1-10-4-5-13(22(25)26)8-14(10)20-15(23)6-7-21-9-19-17-16(18(21)24)11(2)12(3)27-17/h4-5,8-9H,6-7H2,1-3H3,(H,20,23)