[2,6-bis(azanyl)pyrimidin-4-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2,6-bis(azanyl)pyrimidin-4-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: (2,6-diaminopyrimidin-4-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2,6-diamino-4-pyrimidinyl) ester IUPAC Name: (2,6-diaminopyrimidin-4-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2,6-diaminopyrimidin-4-yl) ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC(=NC(=C2)N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC(=NC(=C2)N)N)C

InChI

InChI=1S/C13H16N4O3S/c1-7-4-8(2)12(9(3)5-7)21(18,19)20-11-6-10(14)16-13(15)17-11/h4-6H,1-3H3,(H4,14,15,16,17)