[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl] ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)C

InChI

InChI=1S/C13H16N4O4S/c1-20-10-4-3-8(6-11(10)21-22(2,18)19)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)