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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C20H19ClN4O4S2 MolecularWeight: 478.97226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4S2/c1-5-8-24-19(27)16-10(2)11(3)30-18(16)23-20(24)31-12(4)17(26)22-15-9-13(25(28)29)6-7-14(15)21/h5-7,9,12H,1,8H2,2-4H3,(H,22,26)