[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-iodanyl-phenyl] oxolan-2-ylmethanesulfonate

Systemtic Name: [5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-iodanyl-phenyl] oxolan-2-ylmethanesulfonate Openeye Name: [5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodo-phenyl] tetrahydrofuran-2-ylmethanesulfonate CAS Name: 2-oxolanylmethanesulfonic acid [5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-ethoxy-2-iodophenyl] ester IUPAC Name: [5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodophenyl] oxolan-2-ylmethanesulfonate Traditional Name: tetrahydrofurylmethanesulfonic acid [5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodo-phenyl] ester Formula: C18H23IN4O5S MolecularWeight: 534.36849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)CC3CCCO3)I

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)CC3CCCO3)I

InChI

InChI=1S/C18H23IN4O5S/c1-2-26-14-7-11(6-12-9-22-18(21)23-17(12)20)8-15(16(14)19)28-29(24,25)10-13-4-3-5-27-13/h7-9,13H,2-6,10H2,1H3,(H4,20,21,22,23)