4-[(2S)-3-[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-(6,8-dichloro-4-oxo-quinazolin-3-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-(6,8-dichloro-4-oxo-3-quinazolinyl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-(6,8-dichloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-(6,8-dichloro-4-keto-quinazolin-3-yl)-2-hydroxy-propoxy]benzonitrile Formula: C18H13Cl2N3O3 MolecularWeight: 390.22012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OC[C@H](CN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl)O

InChI

InChI=1S/C18H13Cl2N3O3/c19-12-5-15-17(16(20)6-12)22-10-23(18(15)25)8-13(24)9-26-14-3-1-11(7-21)2-4-14/h1-6,10,13,24H,8-9H2/t13-/m0/s1