4-azanyl-2-[(6-azanyl-2-phenyl-pyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-azanyl-2-[(6-azanyl-2-phenyl-pyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 4-amino-2-[(6-amino-2-phenyl-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 4-amino-2-[(6-amino-2-phenyl-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 4-amino-2-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-amino-2-[(6-amino-2-phenyl-pyrimidin-4-yl)amino]besylic acid Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC(=N2)NC3=C(C=CC(=C3)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC(=N2)NC3=C(C=CC(=C3)N)S(=O)(=O)O)N

InChI

InChI=1S/C16H15N5O3S/c17-11-6-7-13(25(22,23)24)12(8-11)19-15-9-14(18)20-16(21-15)10-4-2-1-3-5-10/h1-9H,17H2,(H,22,23,24)(H3,18,19,20,21)