2,6-bis(azanyl)-8-(2H-imidazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2,6-bis(azanyl)-8-(2H-imidazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 2,6-diamino-8-(2H-imidazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 2,6-diamino-8-[(2H-imidazol-2-ylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 2,6-diamino-8-(2H-imidazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 2,6-diamino-8-[(2H-imidazol-2-ylthio)methyl]-1H-quinazolin-4-one Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(N=C1)SCC2=C3C(=CC(=C2)N)C(=O)N=C(N3)N

Isomeric SMILES

C1=NC(N=C1)SCC2=C3C(=CC(=C2)N)C(=O)N=C(N3)N

InChI

InChI=1S/C12H12N6OS/c13-7-3-6(5-20-12-15-1-2-16-12)9-8(4-7)10(19)18-11(14)17-9/h1-4,12H,5,13H2,(H3,14,17,18,19)