4-azanyl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4S/c1-10-16(24)22(18)17(20-19-10)27-9-15(23)21-5-4-11-6-13(25-2)14(26-3)7-12(11)8-21/h6-7H,4-5,8-9,18H2,1-3H3