N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-(1-tosyl-4-piperidyl)amine Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-18-8-10-21(11-9-18)33(31,32)30-15-12-20(13-16-30)27-25-22-6-2-3-7-23(22)28-24(29-25)19-5-4-14-26-17-19/h2-11,14,17,20H,12-13,15-16H2,1H3,(H,27,28,29)