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

Systemtic Name: [2-[4-(2-azanylethoxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate; 5-tert-butylthiophene-2-sulfonic acid Openeye Name: [2-[4-(2-aminoethoxy)-2-pyrimidin-2-yl-pyrimidin-5-yl]oxyphenyl] carbamate; 5-tert-butylthiophene-2-sulfonic acid CAS Name: 5-tert-butyl-2-thiophenesulfonic acid; carbamic acid [2-[[4-(2-aminoethoxy)-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester IUPAC Name: [2-[4-(2-aminoethoxy)-2-pyrimidin-2-ylpyrimidin-5-yl]oxyphenyl] carbamate; 5-tert-butylthiophene-2-sulfonic acid Traditional Name: 5-tert-butylthiophene-2-sulfonic acid; carbamic acid [2-[4-(2-aminoethoxy)-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester Formula: C25H28N6O7S2 MolecularWeight: 588.65582

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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=C2OCCN)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=C2OCCN)C3=NC=CC=N3)OC(=O)N

InChI

InChI=1S/C17H16N6O4.C8H12O3S2/c18-6-9-25-16-13(10-22-15(23-16)14-20-7-3-8-21-14)26-11-4-1-2-5-12(11)27-17(19)24;1-8(2,3)6-4-5-7(12-6)13(9,10)11/h1-5,7-8,10H,6,9,18H2,(H2,19,24);4-5H,1-3H3,(H,9,10,11)