[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methyl 2-sulfooxybenzoate

Systemtic Name: [2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methyl 2-sulfooxybenzoate Openeye Name: (2,4-diamino-5-methyl-quinazolin-6-yl)methyl 2-sulfooxybenzoate CAS Name: 2-sulfooxybenzoic acid (2,4-diamino-5-methyl-6-quinazolinyl)methyl ester IUPAC Name: (2,4-diamino-5-methylquinazolin-6-yl)methyl 2-sulfooxybenzoate Traditional Name: 2-sulfoxybenzoic acid (2,4-diamino-5-methyl-quinazolin-6-yl)methyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)COC(=O)C3=CC=CC=C3OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)COC(=O)C3=CC=CC=C3OS(=O)(=O)O

InChI

InChI=1S/C17H16N4O6S/c1-9-10(6-7-12-14(9)15(18)21-17(19)20-12)8-26-16(22)11-4-2-3-5-13(11)27-28(23,24)25/h2-7H,8H2,1H3,(H,23,24,25)(H4,18,19,20,21)