5-methyl-N-(3-nitrophenyl)-4-oxidanylidene-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-(3-nitrophenyl)-4-oxidanylidene-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-(3-nitrophenyl)-4-oxo-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-(3-nitrophenyl)-4-oxo-3-propyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-(3-nitrophenyl)-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-5-methyl-N-(3-nitrophenyl)-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O4S/c1-3-7-20-9-18-16-13(17(20)23)10(2)14(26-16)15(22)19-11-5-4-6-12(8-11)21(24)25/h4-6,8-9H,3,7H2,1-2H3,(H,19,22)