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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-cyclopropyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C20H19N3O3S2/c1-10-11(2)28-20-17(10)19(22-18(23-20)12-3-4-12)27-8-16(24)21-13-5-6-14-15(7-13)26-9-25-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,21,24)