[2-[4-(2-hydroxyethyloxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate; pyridine-3-sulfonic acid

Systemtic Name: [2-[4-(2-hydroxyethyloxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate; pyridine-3-sulfonic acid Openeye Name: [2-[4-(2-hydroxyethoxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate; pyridine-3-sulfonic acid CAS Name: carbamic acid [2-[[4-(2-hydroxyethoxy)-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester; 3-pyridinesulfonic acid IUPAC Name: [2-[4-(2-hydroxyethoxy)-2-pyrimidin-2-ylpyrimidin-5-yl]oxyphenyl] carbamate; pyridine-3-sulfonic acid Traditional Name: carbamic acid [2-[4-(2-hydroxyethoxy)-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester; pyridine-3-sulfonic acid Formula: C22H20N6O8S MolecularWeight: 528.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O5.C5H5NO3S/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;7-10(8,9)5-2-1-3-6-4-5/h1-7,10,23H,8-9H2,(H2,18,24);1-4H,(H,7,8,9)