[2,4-bis(azanyl)quinazolin-6-yl]methyl 2-sulfooxybenzoate

Systemtic Name: [2,4-bis(azanyl)quinazolin-6-yl]methyl 2-sulfooxybenzoate Openeye Name: (2,4-diaminoquinazolin-6-yl)methyl 2-sulfooxybenzoate CAS Name: 2-sulfooxybenzoic acid (2,4-diamino-6-quinazolinyl)methyl ester IUPAC Name: (2,4-diaminoquinazolin-6-yl)methyl 2-sulfooxybenzoate Traditional Name: 2-sulfoxybenzoic acid (2,4-diaminoquinazolin-6-yl)methyl ester Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N)OS(=O)(=O)O

InChI

InChI=1S/C16H14N4O6S/c17-14-11-7-9(5-6-12(11)19-16(18)20-14)8-25-15(21)10-3-1-2-4-13(10)26-27(22,23)24/h1-7H,8H2,(H,22,23,24)(H4,17,18,19,20)