3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C12H11N7OS MolecularWeight: 301.32704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C12H11N7OS/c13-9-5-10(14)16-12(15-9)21-6-19-11(20)7-3-1-2-4-8(7)17-18-19/h1-5H,6H2,(H4,13,14,15,16)