4-azanyl-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,2,4-triazin-5-one Formula: C11H17N5O2S MolecularWeight: 283.34998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=CC(=O)N2N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=CC(=O)N2N

InChI

InChI=1S/C11H17N5O2S/c12-16-9(17)7-13-14-11(16)19-8-10(18)15-5-3-1-2-4-6-15/h7H,1-6,8,12H2