2-[(2E)-2-[1-oxidanylidene-8-(pyrimidin-2-ylamino)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 2-[(2E)-2-[1-oxidanylidene-8-(pyrimidin-2-ylamino)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 2-[(2E)-2-[1-oxo-8-(pyrimidin-2-ylamino)-2-naphthylidene]hydrazino]benzenesulfonic acid CAS Name: 2-[(2E)-2-[1-oxo-8-(2-pyrimidinylamino)-2-naphthalenylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 2-[(2E)-2-[1-oxo-8-(pyrimidin-2-ylamino)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-[(N'E)-N'-[1-keto-8-(2-pyrimidylamino)-2-naphthylidene]hydrazino]besylic acid Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C=CC3=C(C2=O)C(=CC=C3)NC4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C/2\C=CC3=C(C2=O)C(=CC=C3)NC4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C20H15N5O4S/c26-19-16(25-24-14-6-1-2-8-17(14)30(27,28)29)10-9-13-5-3-7-15(18(13)19)23-20-21-11-4-12-22-20/h1-12,24H,(H,21,22,23)(H,27,28,29)/b25-16+