1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-4-ol

Systemtic Name: 1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-4-ol Openeye Name: 1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-4-ol CAS Name: 1-[2-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methylamino]-4-quinazolinyl]-4-piperidinol IUPAC Name: 1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-4-ol Traditional Name: 1-[2-[[2-[(2-methylolphenyl)thio]benzyl]amino]quinazolin-4-yl]piperidin-4-ol Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CO

Isomeric SMILES

C1CN(CCC1O)C2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CO

InChI

InChI=1S/C27H28N4O2S/c32-18-20-8-2-6-12-25(20)34-24-11-5-1-7-19(24)17-28-27-29-23-10-4-3-9-22(23)26(30-27)31-15-13-21(33)14-16-31/h1-12,21,32-33H,13-18H2,(H,28,29,30)