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

Systemtic Name: 3-[2-(4-methyl-3-phenylazanyl-4-phenylsulfanyl-quinazolin-6-yl)ethynyl]piperidin-3-ol Openeye Name: 3-[2-(3-anilino-4-methyl-4-phenylsulfanyl-quinazolin-6-yl)ethynyl]piperidin-3-ol CAS Name: 3-[2-[3-anilino-4-methyl-4-(phenylthio)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-(3-anilino-4-methyl-4-phenylsulfanylquinazolin-6-yl)ethynyl]piperidin-3-ol Traditional Name: 3-[2-[3-anilino-4-methyl-4-(phenylthio)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C#CC3(CCCNC3)O)N=CN1NC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C#CC3(CCCNC3)O)N=CN1NC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H28N4OS/c1-27(34-24-11-6-3-7-12-24)25-19-22(15-17-28(33)16-8-18-29-20-28)13-14-26(25)30-21-32(27)31-23-9-4-2-5-10-23/h2-7,9-14,19,21,29,31,33H,8,16,18,20H2,1H3