5-[3-(2-aminophenyl)-3-oxidanylidene-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[3-(2-aminophenyl)-3-oxidanylidene-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[3-(2-aminophenyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[3-(2-aminophenyl)-3-oxopropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[3-(2-aminophenyl)-3-oxopropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-(2-aminophenyl)-3-keto-propyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)CCC2C(=O)NC(=S)NC2=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)CCC2C(=O)NC(=S)NC2=O)N

InChI

InChI=1S/C13H13N3O3S/c14-9-4-2-1-3-7(9)10(17)6-5-8-11(18)15-13(20)16-12(8)19/h1-4,8H,5-6,14H2,(H2,15,16,18,19,20)