4-azanyl-3-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H19N5O2S/c1-10-14(22)21(17)16(19-18-10)24-11(2)15(23)20-8-7-12-5-3-4-6-13(12)9-20/h3-6,11H,7-9,17H2,1-2H3