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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

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