1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-3-carboxamide

Systemtic Name: 1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-3-carboxamide Openeye Name: 1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-3-carboxamide CAS Name: 1-[2-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methylamino]-4-quinazolinyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-3-carboxamide Traditional Name: 1-[2-[[2-[(2-methylolphenyl)thio]benzyl]amino]quinazolin-4-yl]nipecotamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CO)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CO)C(=O)N

InChI

InChI=1S/C28H29N5O2S/c29-26(35)20-10-7-15-33(17-20)27-22-11-3-4-12-23(22)31-28(32-27)30-16-19-8-1-5-13-24(19)36-25-14-6-2-9-21(25)18-34/h1-6,8-9,11-14,20,34H,7,10,15-18H2,(H2,29,35)(H,30,31,32)