N4-[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride

Systemtic Name: N4-[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride Openeye Name: N4-[6-methoxy-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride CAS Name: N4-[6-methoxy-2-[(E)-2-(2-pyridinyl)ethenyl]-4-quinazolinyl]cyclohexane-1,4-diamine trihydrochloride IUPAC Name: 4-N-[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-methoxy-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]amine trihydrochloride Formula: C22H28Cl3N5O MolecularWeight: 484.84962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NC3CCC(CC3)N)C=CC4=CC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NC3CCC(CC3)N)/C=C/C4=CC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C22H25N5O.3ClH/c1-28-18-10-11-20-19(14-18)22(25-17-7-5-15(23)6-8-17)27-21(26-20)12-9-16-4-2-3-13-24-16;;;/h2-4,9-15,17H,5-8,23H2,1H3,(H,25,26,27);3*1H/b12-9+;;;