4-azanyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NN=C(C(=O)N2N)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NN=C(C(=O)N2N)C)C

InChI

InChI=1S/C13H21N5O2S/c1-8-4-9(2)6-17(5-8)11(19)7-21-13-16-15-10(3)12(20)18(13)14/h8-9H,4-7,14H2,1-3H3/t8-,9-/m1/s1