N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-cyclopropyl-5-ethyl-6-methyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H21N3O3S2/c1-3-14-11(2)29-21-18(14)20(23-19(24-21)12-4-5-12)28-9-17(25)22-13-6-7-15-16(8-13)27-10-26-15/h6-8,12H,3-5,9-10H2,1-2H3,(H,22,25)