N-[(4-nitrophenyl)carbamoyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C19H17N5O5S2 MolecularWeight: 459.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C19H17N5O5S2/c1-3-9-23-17(26)14-8-10-30-16(14)22-19(23)31-11(2)15(25)21-18(27)20-12-4-6-13(7-5-12)24(28)29/h3-8,10-11H,1,9H2,2H3,(H2,20,21,25,27)