3-[2-[4-[(3-methyl-4-phenylsulfanyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(3-methyl-4-phenylsulfanyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-methyl-4-phenylsulfanyl-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[3-methyl-4-(phenylthio)anilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-methyl-4-phenylsulfanylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[3-methyl-4-(phenylthio)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C28H26N4OS MolecularWeight: 466.59724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)SC5=CC=CC=C5

InChI

InChI=1S/C28H26N4OS/c1-20-16-22(9-11-26(20)34-23-6-3-2-4-7-23)32-27-24-17-21(8-10-25(24)30-19-31-27)12-14-28(33)13-5-15-29-18-28/h2-4,6-11,16-17,19,29,33H,5,13,15,18H2,1H3,(H,30,31,32)