1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride

Systemtic Name: 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride Openeye Name: 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-(2-thienyl)-4H-quinazoline dihydrochloride CAS Name: 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride IUPAC Name: 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride Traditional Name: 5-mesyl-1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-(2-thienyl)-4H-quinazoline dihydrochloride Formula: C23H22Cl2N4O3S2 MolecularWeight: 537.48178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)N3C=NC(C4=C3C=CC=C4S(=O)(=O)C)C5=CC=CS5.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)N3C=NC(C4=C3C=CC=C4S(=O)(=O)C)C5=CC=CS5.Cl.Cl

InChI

InChI=1S/C23H20N4O3S2.2ClH/c1-30-16-10-8-15(9-11-16)22-18(13-25-26-22)27-14-24-23(19-6-4-12-31-19)21-17(27)5-3-7-20(21)32(2,28)29;;/h3-14,23H,1-2H3,(H,25,26);2*1H