N1-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]-2-methyl-cyclohexane-1,4-diamine trihydrochloride

Systemtic Name: N1-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]-2-methyl-cyclohexane-1,4-diamine trihydrochloride Openeye Name: N1-[6-methoxy-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-4-yl]-2-methyl-cyclohexane-1,4-diamine trihydrochloride CAS Name: N1-[6-methoxy-2-[(E)-2-(3-pyridinyl)ethenyl]-4-quinazolinyl]-2-methylcyclohexane-1,4-diamine trihydrochloride IUPAC Name: 1-N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]-2-methylcyclohexane-1,4-diamine trihydrochloride Traditional Name: (4-amino-2-methyl-cyclohexyl)-[6-methoxy-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-4-yl]amine trihydrochloride Formula: C23H30Cl3N5O MolecularWeight: 498.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1NC2=NC(=NC3=C2C=C(C=C3)OC)C=CC4=CN=CC=C4)N.Cl.Cl.Cl

Isomeric SMILES

CC1CC(CCC1NC2=NC(=NC3=C2C=C(C=C3)OC)/C=C/C4=CN=CC=C4)N.Cl.Cl.Cl

InChI

InChI=1S/C23H27N5O.3ClH/c1-15-12-17(24)6-8-20(15)27-23-19-13-18(29-2)7-9-21(19)26-22(28-23)10-5-16-4-3-11-25-14-16;;;/h3-5,7,9-11,13-15,17,20H,6,8,12,24H2,1-2H3,(H,26,27,28);3*1H/b10-5+;;;