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

Systemtic Name: [2,4-bis(azanyl)pyrimidin-5-yl]methyl 2-sulfooxybenzoate Openeye Name: (2,4-diaminopyrimidin-5-yl)methyl 2-sulfooxybenzoate CAS Name: 2-sulfooxybenzoic acid (2,4-diamino-5-pyrimidinyl)methyl ester IUPAC Name: (2,4-diaminopyrimidin-5-yl)methyl 2-sulfooxybenzoate Traditional Name: 2-sulfoxybenzoic acid (2,4-diaminopyrimidin-5-yl)methyl ester Formula: C12H12N4O6S MolecularWeight: 340.31188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN=C(N=C2N)N)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN=C(N=C2N)N)OS(=O)(=O)O

InChI

InChI=1S/C12H12N4O6S/c13-10-7(5-15-12(14)16-10)6-21-11(17)8-3-1-2-4-9(8)22-23(18,19)20/h1-5H,6H2,(H,18,19,20)(H4,13,14,15,16)