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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H21N3O3S2/c1-11-12(2)29-21-18(11)20(23-19(24-21)14-4-5-14)28-9-17(25)22-8-13-3-6-15-16(7-13)27-10-26-15/h3,6-7,14H,4-5,8-10H2,1-2H3,(H,22,25)