3-oxidanidyl-8-(phenylmethylsulfanyl)pyrimido[5,4-d][1,2,3]triazin-3-ium-6-amine

Systemtic Name: 3-oxidanidyl-8-(phenylmethylsulfanyl)pyrimido[5,4-d][1,2,3]triazin-3-ium-6-amine Openeye Name: 8-benzylsulfanyl-3-oxido-pyrimido[5,4-d]triazin-3-ium-6-amine CAS Name: 3-oxido-8-(phenylmethylthio)-6-pyrimido[5,4-d]triazin-3-iumamine IUPAC Name: 8-benzylsulfanyl-3-oxidopyrimido[5,4-d]triazin-3-ium-6-amine Traditional Name: [8-(benzylthio)-3-oxido-pyrimido[5,4-d]triazin-3-ium-6-yl]amine Formula: C12H10N6OS MolecularWeight: 286.3124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C[N+](=NN=C32)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C[N+](=NN=C32)[O-])N

InChI

InChI=1S/C12H10N6OS/c13-12-14-9-6-18(19)17-16-10(9)11(15-12)20-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)