N4-phenylmethoxy-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride

Systemtic Name: N4-phenylmethoxy-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: N4-benzyloxy-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: N4-phenylmethoxy-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 4-N-phenylmethoxy-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl]-benzoxy-amine hydrochloride Formula: C21H25ClN4O4 MolecularWeight: 432.9006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2NOCC3=CC=CC=C3)N.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2NOCC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C21H24N4O4.ClH/c1-26-17-10-15(11-18(27-2)19(17)28-3)9-16-12-23-21(22)24-20(16)25-29-13-14-7-5-4-6-8-14;/h4-8,10-12H,9,13H2,1-3H3,(H3,22,23,24,25);1H