2-[4-(1,3-benzodioxol-4-ylmethylamino)-6-methyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide

Systemtic Name: 2-[4-(1,3-benzodioxol-4-ylmethylamino)-6-methyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide Openeye Name: 2-[4-(1,3-benzodioxol-4-ylmethylamino)-6-methyl-pyrimidin-2-yl]sulfanyl-N'-hydroxy-acetamidine CAS Name: 2-[[4-(1,3-benzodioxol-4-ylmethylamino)-6-methyl-2-pyrimidinyl]thio]-N'-hydroxyethanimidamide IUPAC Name: 2-[4-(1,3-benzodioxol-4-ylmethylamino)-6-methylpyrimidin-2-yl]sulfanyl-N'-hydroxyethanimidamide Traditional Name: 2-[[4-(1,3-benzodioxol-4-ylmethylamino)-6-methyl-pyrimidin-2-yl]thio]-N'-hydroxy-acetamidine Formula: C15H17N5O3S MolecularWeight: 347.39218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=NO)N)NCC2=C3C(=CC=C2)OCO3

Isomeric SMILES

CC1=CC(=NC(=N1)SC/C(=N/O)/N)NCC2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C15H17N5O3S/c1-9-5-13(19-15(18-9)24-7-12(16)20-21)17-6-10-3-2-4-11-14(10)23-8-22-11/h2-5,21H,6-8H2,1H3,(H2,16,20)(H,17,18,19)