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

Systemtic Name: [5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-iodanyl-phenyl] cyclobutanesulfonate Openeye Name: [5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodo-phenyl] cyclobutanesulfonate CAS Name: cyclobutanesulfonic 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] cyclobutanesulfonate Traditional Name: cyclobutanesulfonic acid [5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodo-phenyl] ester Formula: C17H21IN4O4S MolecularWeight: 504.34251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)C3CCC3)I

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)C3CCC3)I

InChI

InChI=1S/C17H21IN4O4S/c1-2-25-13-7-10(6-11-9-21-17(20)22-16(11)19)8-14(15(13)18)26-27(23,24)12-4-3-5-12/h7-9,12H,2-6H2,1H3,(H4,19,20,21,22)