4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-morpholin-4-yl-quinazoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-morpholin-4-yl-quinazoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-morpholino-quinazoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(4-morpholinyl)-6-quinazolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-morpholin-4-ylquinazoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-morpholino-quinazoline-6-carbonitrile Formula: C21H20ClN5O2 MolecularWeight: 409.8688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)C#N)N4CCOCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)C#N)N4CCOCC4)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-28-19-5-3-15(11-17(19)22)13-24-20-16-10-14(12-23)2-4-18(16)25-21(26-20)27-6-8-29-9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25,26)