N-aminocarbonyl-2-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-aminocarbonyl-2-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-carbamoyl-2-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-carbamoyl-2-[[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]propanamide IUPAC Name: N-carbamoyl-2-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-carbamoyl-2-[[3-(3,4-dimethylphenyl)-5-ethyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC(=O)N)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC(=O)N)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C21H24N4O3S2/c1-6-15-12(4)29-18-16(15)19(27)25(14-8-7-10(2)11(3)9-14)21(24-18)30-13(5)17(26)23-20(22)28/h7-9,13H,6H2,1-5H3,(H3,22,23,26,28)