2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC3COC4=CC=CC=C4O3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC3COC4=CC=CC=C4O3)C(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-12-19(13(2)25)21(24-20(23-12)14-7-8-14)29-11-18(26)22-9-15-10-27-16-5-3-4-6-17(16)28-15/h3-6,14-15H,7-11H2,1-2H3,(H,22,26)