[2-azanyl-6-(methoxycarbonylamino)pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-6-(methoxycarbonylamino)pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-amino-6-(methoxycarbonylamino)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-6-(methoxycarbonylamino)-4-pyrimidinyl] ester IUPAC Name: [2-amino-6-(methoxycarbonylamino)pyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-6-(carbomethoxyamino)pyrimidin-4-yl] ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5S/c1-8-3-5-9(6-4-8)23(19,20)22-11-7-10(15-12(14)17-11)16-13(18)21-2/h3-7H,1-2H3,(H3,14,15,16,17,18)