6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline dihydrochloride

Systemtic Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline dihydrochloride Openeye Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonyl-2-thienyl)quinazoline dihydrochloride CAS Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonyl-2-thiophenyl)quinazoline dihydrochloride IUPAC Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline dihydrochloride Traditional Name: 4-(5-mesyl-2-thienyl)-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride Formula: C23H20Cl2N4O3S2 MolecularWeight: 535.4659

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C23H18N4O3S2.2ClH/c1-30-16-6-3-14(4-7-16)22-18(12-26-27-22)15-5-8-19-17(11-15)23(25-13-24-19)20-9-10-21(31-20)32(2,28)29;;/h3-13H,1-2H3,(H,26,27);2*1H