5-[[3-(6-azanylhexoxy)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[[3-(6-azanylhexoxy)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[[3-(6-aminohexoxy)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[[3-(6-aminohexoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[[3-(6-aminohexoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-[3-(6-aminohexoxy)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine hydrochloride Formula: C19H30ClN5O3 MolecularWeight: 411.9262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCCCN)OC.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCCCN)OC.Cl

InChI

InChI=1S/C19H29N5O3.ClH/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(17(15)26-2)27-8-6-4-3-5-7-20;/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24);1H