2-[2-[[2-(1H-azepin-2-yl)quinazolin-4-yl]amino]ethylsulfanyl]ethanol

Systemtic Name: 2-[2-[[2-(1H-azepin-2-yl)quinazolin-4-yl]amino]ethylsulfanyl]ethanol Openeye Name: 2-[2-[[2-(1H-azepin-2-yl)quinazolin-4-yl]amino]ethylsulfanyl]ethanol CAS Name: 2-[2-[[2-(1H-azepin-2-yl)-4-quinazolinyl]amino]ethylthio]ethanol IUPAC Name: 2-[2-[[2-(1H-azepin-2-yl)quinazolin-4-yl]amino]ethylsulfanyl]ethanol Traditional Name: 2-[2-[[2-(1H-azepin-2-yl)quinazolin-4-yl]amino]ethylthio]ethanol Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(NC=C1)C2=NC3=CC=CC=C3C(=N2)NCCSCCO

Isomeric SMILES

C1=CC=C(NC=C1)C2=NC3=CC=CC=C3C(=N2)NCCSCCO

InChI

InChI=1S/C18H20N4OS/c23-11-13-24-12-10-20-17-14-6-3-4-7-15(14)21-18(22-17)16-8-2-1-5-9-19-16/h1-9,19,23H,10-13H2,(H,20,21,22)