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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-(2,6-dimethylphenyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: (2,6-dimethylphenyl)-[2-[1-[4-(4-propylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C31H37N5O2S MolecularWeight: 543.72278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=C(C=CC=C5C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=C(C=CC=C5C)C

InChI

InChI=1S/C31H37N5O2S/c1-5-9-25-14-16-26(17-15-25)39(37,38)36-20-18-35(19-21-36)24(4)30-32-28-13-7-6-12-27(28)31(34-30)33-29-22(2)10-8-11-23(29)3/h6-8,10-17,24H,5,9,18-21H2,1-4H3,(H,32,33,34)