2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-(2,1,3-benzoxadiazol-5-ylmethylthio)pyrimidine-4,6-diamine IUPAC Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(benzofurazan-5-ylmethylthio)pyrimidin-4-yl]amine Formula: C11H10N6OS MolecularWeight: 274.3017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NON=C2C=C1CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC2=NON=C2C=C1CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C11H10N6OS/c12-9-4-10(13)15-11(14-9)19-5-6-1-2-7-8(3-6)17-18-16-7/h1-4H,5H2,(H4,12,13,14,15)