N-(2,6-dimethylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-(2,6-dimethylphenyl)-2-[1-[4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: (2,6-dimethylphenyl)-[2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C31H33N7O2S MolecularWeight: 567.70442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC(=NC3=CC=CC=C32)C(C)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC(=NC3=CC=CC=C32)C(C)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C31H33N7O2S/c1-22-8-6-9-23(2)29(22)34-31-27-10-4-5-11-28(27)33-30(35-31)24(3)36-18-20-37(21-19-36)41(39,40)26-14-12-25(13-15-26)38-17-7-16-32-38/h4-17,24H,18-21H2,1-3H3,(H,33,34,35)