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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(5-acetyl-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C

InChI

InChI=1S/C19H19N3O4S/c1-10-17(11(2)23)19(22-18(20-10)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)