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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-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-ylmethyl)acetamide CAS Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-(5-acetyl-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C

InChI

InChI=1S/C20H21N3O4S/c1-11-18(12(2)24)20(23-19(22-11)14-4-5-14)28-9-17(25)21-8-13-3-6-15-16(7-13)27-10-26-15/h3,6-7,14H,4-5,8-10H2,1-2H3,(H,21,25)