5-propan-2-ylpyridine-2-sulfonic acid; [2-[4-[2-(pyridin-2-ylcarbamoylamino)ethoxy]-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate

Systemtic Name: 5-propan-2-ylpyridine-2-sulfonic acid; [2-[4-[2-(pyridin-2-ylcarbamoylamino)ethoxy]-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate Openeye Name: 5-isopropylpyridine-2-sulfonic acid; [2-[4-[2-(2-pyridylcarbamoylamino)ethoxy]-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate CAS Name: carbamic acid [2-[[4-[2-[[oxo-(2-pyridinylamino)methyl]amino]ethoxy]-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester; 5-propan-2-yl-2-pyridinesulfonic acid IUPAC Name: 5-propan-2-ylpyridine-2-sulfonic acid; [2-[4-[2-(pyridin-2-ylcarbamoylamino)ethoxy]-2-pyrimidin-2-ylpyrimidin-5-yl]oxyphenyl] carbamate Traditional Name: carbamic acid [2-[4-[2-(2-pyridylcarbamoylamino)ethoxy]-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester; 5-isopropylpyridine-2-sulfonic acid Formula: C31H31N9O8S MolecularWeight: 689.69834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2OCCNC(=O)NC3=CC=CC=N3)C4=NC=CC=N4)OC(=O)N

Isomeric SMILES

CC(C)C1=CN=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2OCCNC(=O)NC3=CC=CC=N3)C4=NC=CC=N4)OC(=O)N

InChI

InChI=1S/C23H20N8O5.C8H11NO3S/c24-22(32)36-16-7-2-1-6-15(16)35-17-14-29-20(19-26-10-5-11-27-19)31-21(17)34-13-12-28-23(33)30-18-8-3-4-9-25-18;1-6(2)7-3-4-8(9-5-7)13(10,11)12/h1-11,14H,12-13H2,(H2,24,32)(H2,25,28,30,33);3-6H,1-2H3,(H,10,11,12)