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

Systemtic Name: N4-[6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride Openeye Name: N4-[6-methyl-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride CAS Name: N4-[6-methyl-2-[(E)-2-(2-pyridinyl)ethenyl]-4-quinazolinyl]cyclohexane-1,4-diamine trihydrochloride IUPAC Name: 4-N-[6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-methyl-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]amine trihydrochloride Formula: C22H28Cl3N5 MolecularWeight: 468.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3CCC(CC3)N)C=CC4=CC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NC3CCC(CC3)N)/C=C/C4=CC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C22H25N5.3ClH/c1-15-5-11-20-19(14-15)22(25-18-8-6-16(23)7-9-18)27-21(26-20)12-10-17-4-2-3-13-24-17;;;/h2-5,10-14,16,18H,6-9,23H2,1H3,(H,25,26,27);3*1H/b12-10+;;;