sodium; 4-(2-sulfosulfanylethylamino)quinazoline

Systemtic Name: sodium; 4-(2-sulfosulfanylethylamino)quinazoline Openeye Name: sodium; 4-(2-sulfosulfanylethylamino)quinazoline CAS Name: sodium; 4-[2-(sulfothio)ethylamino]quinazoline IUPAC Name: sodium; 4-(2-sulfosulfanylethylamino)quinazoline Traditional Name: sodium; 4-[2-(sulfothio)ethylamino]quinazoline Formula: C10H11N3NaO3S2 MolecularWeight: 308.33241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NCCSS(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NCCSS(=O)(=O)O.[Na]

InChI

InChI=1S/C10H11N3O3S2.Na/c14-18(15,16)17-6-5-11-10-8-3-1-2-4-9(8)12-7-13-10;/h1-4,7H,5-6H2,(H,11,12,13)(H,14,15,16);