2-(benzotriazol-1-ylmethylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-(1-benzotriazolylmethylthio)pyrimidine-4,6-diamine IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(benzotriazol-1-ylmethylthio)pyrimidin-4-yl]amine Formula: C11H11N7S MolecularWeight: 273.31694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C11H11N7S/c12-9-5-10(13)15-11(14-9)19-6-18-8-4-2-1-3-7(8)16-17-18/h1-5H,6H2,(H4,12,13,14,15)