5-tert-butylthiophene-2-sulfonic acid; [2-[4-(2-hydroxyethyloxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate

Systemtic Name: 5-tert-butylthiophene-2-sulfonic acid; [2-[4-(2-hydroxyethyloxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate Openeye Name: 5-tert-butylthiophene-2-sulfonic acid; [2-[4-(2-hydroxyethoxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate CAS Name: 5-tert-butyl-2-thiophenesulfonic acid; carbamic acid [2-[[4-(2-hydroxyethoxy)-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester IUPAC Name: 5-tert-butylthiophene-2-sulfonic acid; [2-[4-(2-hydroxyethoxy)-2-pyrimidin-2-ylpyrimidin-5-yl]oxyphenyl] carbamate Traditional Name: 5-tert-butylthiophene-2-sulfonic acid; carbamic acid [2-[4-(2-hydroxyethoxy)-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester Formula: C25H27N5O8S2 MolecularWeight: 589.64058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2OCCO)C3=NC=CC=N3)OC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(S1)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.C8H12O3S2/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;1-8(2,3)6-4-5-7(12-6)13(9,10)11/h1-7,10,23H,8-9H2,(H2,18,24);4-5H,1-3H3,(H,9,10,11)