N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine hydrochloride

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine hydrochloride Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine hydrochloride CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-imidazolyl)-5-(4-methoxyphenyl)-4-pyrimidinamine hydrochloride IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine hydrochloride Traditional Name: [2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-yl]-piperonyl-amine hydrochloride Formula: C22H20ClN5O3 MolecularWeight: 437.8789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5C=CN=C5.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5C=CN=C5.Cl

InChI

InChI=1S/C22H19N5O3.ClH/c1-28-17-5-3-16(4-6-17)18-12-25-22(27-9-8-23-13-27)26-21(18)24-11-15-2-7-19-20(10-15)30-14-29-19;/h2-10,12-13H,11,14H2,1H3,(H,24,25,26);1H