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

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetamide Formula: C16H16N4O4S MolecularWeight: 360.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)N

InChI

InChI=1S/C16H16N4O4S/c1-8-3-14(17)20-16(18-8)25-6-15(22)19-11-5-13-12(23-7-24-13)4-10(11)9(2)21/h3-5H,6-7H2,1-2H3,(H,19,22)(H2,17,18,20)