N-(2-methylphenyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-(2-methylphenyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-(o-tolyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-(2-methylphenyl)-2-[1-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-(2-methylphenyl)-2-[1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: o-tolyl-[2-[1-[4-(4-propylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C30H35N5O2S MolecularWeight: 529.6962

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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=CC=CC=C5C

Isomeric SMILES

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

InChI

InChI=1S/C30H35N5O2S/c1-4-9-24-14-16-25(17-15-24)38(36,37)35-20-18-34(19-21-35)23(3)29-32-28-13-8-6-11-26(28)30(33-29)31-27-12-7-5-10-22(27)2/h5-8,10-17,23H,4,9,18-21H2,1-3H3,(H,31,32,33)