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3-[bis(azanyl)methylideneamino]-4-(methylsulfinylmethylamino)benzoic acid

3-[bis(azanyl)methylideneamino]-4-(methylsulfinylmethylamino)benzoic acid

Systemtic Name:3-[bis(azanyl)methylideneamino]-4-(methylsulfinylmethylamino)benzoic acid
Openeye Name:3-guanidino-4-(methylsulfinylmethylamino)benzoic acid
CAS Name:3-(diaminomethylideneamino)-4-(methylsulfinylmethylamino)benzoic acid
IUPAC Name:3-(diaminomethylideneamino)-4-(methylsulfinylmethylamino)benzoic acid
Traditional Name:3-guanidino-4-(methylsulfinylmethylamino)benzoic acid
Formula: C10H14N4O3S
MolecularWeight: 270.30816
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CNC1=C(C=C(C=C1)C(=O)O)N=C(N)N


Isomeric SMILES

CS(=O)CNC1=C(C=C(C=C1)C(=O)O)N=C(N)N


InChI

InChI=1S/C10H14N4O3S/c1-18(17)5-13-7-3-2-6(9(15)16)4-8(7)14-10(11)12/h2-4,13H,5H2,1H3,(H,15,16)(H4,11,12,14)


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