N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine Openeye Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine Traditional Name: (2,4-dimethoxyphenyl)-[2-(4-mesylpiperazino)quinazolin-4-yl]amine Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C)OC

InChI

InChI=1S/C21H25N5O4S/c1-29-15-8-9-18(19(14-15)30-2)22-20-16-6-4-5-7-17(16)23-21(24-20)25-10-12-26(13-11-25)31(3,27)28/h4-9,14H,10-13H2,1-3H3,(H,22,23,24)