7-bromanyl-4-[(3-ethynylphenyl)amino]quinazoline-6-sulfonic acid

Systemtic Name: 7-bromanyl-4-[(3-ethynylphenyl)amino]quinazoline-6-sulfonic acid Openeye Name: 7-bromo-4-(3-ethynylanilino)quinazoline-6-sulfonic acid CAS Name: 7-bromo-4-(3-ethynylanilino)-6-quinazolinesulfonic acid IUPAC Name: 7-bromo-4-(3-ethynylanilino)quinazoline-6-sulfonic acid Traditional Name: 7-bromo-4-(3-ethynylanilino)quinazoline-6-sulfonic acid Formula: C16H10BrN3O3S MolecularWeight: 404.2379

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)S(=O)(=O)O)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)S(=O)(=O)O)Br

InChI

InChI=1S/C16H10BrN3O3S/c1-2-10-4-3-5-11(6-10)20-16-12-7-15(24(21,22)23)13(17)8-14(12)18-9-19-16/h1,3-9H,(H,18,19,20)(H,21,22,23)