2-(phenylmethylsulfanyl)-1,8-dihydropyrimido[5,4-b][1,4]thiazine-4,7-dione

Systemtic Name: 2-(phenylmethylsulfanyl)-1,8-dihydropyrimido[5,4-b][1,4]thiazine-4,7-dione Openeye Name: 2-benzylsulfanyl-1,8-dihydropyrimido[5,4-b][1,4]thiazine-4,7-dione CAS Name: 2-(phenylmethylthio)-1,8-dihydropyrimido[5,4-b][1,4]thiazine-4,7-dione IUPAC Name: 2-benzylsulfanyl-1,8-dihydropyrimido[5,4-b][1,4]thiazine-4,7-dione Traditional Name: 2-(benzylthio)-1,8-dihydropyrimido[5,4-b][1,4]thiazine-4,7-quinone Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)NC2=C(S1)C(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H11N3O2S2/c17-9-7-19-10-11(14-9)15-13(16-12(10)18)20-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15,16,17,18)