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4-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoic acid

4-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoic acid

Systemtic Name:4-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoic acid
Openeye Name:4-[(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid
CAS Name:4-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid
IUPAC Name:4-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid
Traditional Name:4-[(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid
Formula: C13H11N3O4S
MolecularWeight: 305.30914
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)O)C(=O)NC1=S


Isomeric SMILES

CN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)O)C(=O)NC1=S


InChI

InChI=1S/C13H11N3O4S/c1-16-11(18)9(10(17)15-13(16)21)6-14-8-4-2-7(3-5-8)12(19)20/h2-6,14H,1H3,(H,19,20)(H,15,17,21)


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