4-[[(E)-(4-oxidanylidene-1H-quinazolin-2-ylidene)-sulfanyl-methyl]amino]pyrimidine-2,5-dione

Systemtic Name: 4-[[(E)-(4-oxidanylidene-1H-quinazolin-2-ylidene)-sulfanyl-methyl]amino]pyrimidine-2,5-dione Openeye Name: 4-[[(E)-(4-oxo-1H-quinazolin-2-ylidene)-sulfanyl-methyl]amino]pyrimidine-2,5-dione CAS Name: 4-[[(E)-mercapto-(4-oxo-1H-quinazolin-2-ylidene)methyl]amino]pyrimidine-2,5-dione IUPAC Name: 4-[[(E)-(4-oxo-1H-quinazolin-2-ylidene)-sulfanylmethyl]amino]pyrimidine-2,5-dione Traditional Name: 4-[[(E)-(4-keto-1H-quinazolin-2-ylidene)-mercapto-methyl]amino]pyrimidine-2,5-quinone Formula: C13H9N5O3S MolecularWeight: 315.30726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(=C(NC3=NC(=O)N=CC3=O)S)N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N/C(=C(\NC3=NC(=O)N=CC3=O)/S)/N2

InChI

InChI=1S/C13H9N5O3S/c19-8-5-14-13(21)18-9(8)17-12(22)10-15-7-4-2-1-3-6(7)11(20)16-10/h1-5,15,22H,(H,16,20)(H,17,18,21)/b12-10+