3,5-dimethyl-1,2-oxazole-4-sulfonic acid; [2-[4-(2-hydroxyethyloxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate

Systemtic Name: 3,5-dimethyl-1,2-oxazole-4-sulfonic acid; [2-[4-(2-hydroxyethyloxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate Openeye Name: 3,5-dimethylisoxazole-4-sulfonic acid; [2-[4-(2-hydroxyethoxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate CAS Name: carbamic acid [2-[[4-(2-hydroxyethoxy)-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester; 3,5-dimethyl-4-isoxazolesulfonic acid IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-sulfonic acid; [2-[4-(2-hydroxyethoxy)-2-pyrimidin-2-ylpyrimidin-5-yl]oxyphenyl] carbamate Traditional Name: carbamic acid [2-[4-(2-hydroxyethoxy)-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester; 3,5-dimethylisoxazole-4-sulfonic acid Formula: C22H22N6O9S MolecularWeight: 546.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2OCCO)C3=NC=CC=N3)OC(=O)N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2OCCO)C3=NC=CC=N3)OC(=O)N

InChI

InChI=1S/C17H15N5O5.C5H7NO4S/c18-17(24)27-12-5-2-1-4-11(12)26-13-10-21-15(14-19-6-3-7-20-14)22-16(13)25-9-8-23;1-3-5(11(7,8)9)4(2)10-6-3/h1-7,10,23H,8-9H2,(H2,18,24);1-2H3,(H,7,8,9)