(3R)-3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one Openeye Name: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one CAS Name: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-5-one IUPAC Name: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-3-methylsulfanyl-2,4-dihydro-1,2,4-triazin-5-one Traditional Name: (3R)-6-methyl-3-(methylthio)-3-(piperonylamino)-2,4-dihydro-1,2,4-triazin-5-one Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(NC1=O)(NCC2=CC3=C(C=C2)OCO3)SC

Isomeric SMILES

CC1=NN[C@](NC1=O)(NCC2=CC3=C(C=C2)OCO3)SC

InChI

InChI=1S/C13H16N4O3S/c1-8-12(18)15-13(21-2,17-16-8)14-6-9-3-4-10-11(5-9)20-7-19-10/h3-5,14,17H,6-7H2,1-2H3,(H,15,18)/t13-/m1/s1