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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide CAS Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide IUPAC Name: 2-(5-acetyl-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCO4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCO4)C(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-11(15-6-7-16-17(8-15)28-10-27-16)22-18(26)9-29-21-19(13(3)25)12(2)23-20(24-21)14-4-5-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,22,26)