4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-N-methyl-piperidine-1-carboxamide

Systemtic Name: 4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-N-methyl-piperidine-1-carboxamide Openeye Name: 4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-N-methyl-piperidine-1-carboxamide CAS Name: 4-[[2-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methylamino]-4-quinazolinyl]amino]-N-methyl-1-piperidinecarboxamide IUPAC Name: 4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-N-methylpiperidine-1-carboxamide Traditional Name: N-methyl-4-[[2-[[2-[(2-methylolphenyl)thio]benzyl]amino]quinazolin-4-yl]amino]piperidine-1-carboxamide Formula: C29H32N6O2S MolecularWeight: 528.66838

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CO

Isomeric SMILES

CNC(=O)N1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CO

InChI

InChI=1S/C29H32N6O2S/c1-30-29(37)35-16-14-22(15-17-35)32-27-23-10-4-5-11-24(23)33-28(34-27)31-18-20-8-2-6-12-25(20)38-26-13-7-3-9-21(26)19-36/h2-13,22,36H,14-19H2,1H3,(H,30,37)(H2,31,32,33,34)