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

Systemtic Name: [2-(4-chloranyl-2-pyrimidin-2-yl-pyrimidin-5-yl)oxyphenyl] carbamate; pyridine-3-sulfonic acid Openeye Name: [2-(4-chloro-2-pyrimidin-2-yl-pyrimidin-5-yl)oxyphenyl] carbamate; pyridine-3-sulfonic acid CAS Name: carbamic acid [2-[[4-chloro-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester; 3-pyridinesulfonic acid IUPAC Name: [2-(4-chloro-2-pyrimidin-2-ylpyrimidin-5-yl)oxyphenyl] carbamate; pyridine-3-sulfonic acid Traditional Name: carbamic acid [2-[4-chloro-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester; pyridine-3-sulfonic acid Formula: C20H15ClN6O6S MolecularWeight: 502.8877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CN=C(N=C2Cl)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=C2Cl)C3=NC=CC=N3)OC(=O)N.C1=CC(=CN=C1)S(=O)(=O)O

InChI

InChI=1S/C15H10ClN5O3.C5H5NO3S/c16-12-11(8-20-14(21-12)13-18-6-3-7-19-13)23-9-4-1-2-5-10(9)24-15(17)22;7-10(8,9)5-2-1-3-6-4-5/h1-8H,(H2,17,22);1-4H,(H,7,8,9)