5-[(3,4-dimethoxyphenyl)methyl]-N2-(phenylmethoxymethyl)pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-N2-(phenylmethoxymethyl)pyrimidine-2,4-diamine hydrochloride Openeye Name: N2-(benzyloxymethyl)-5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-N2-(phenylmethoxymethyl)pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-2-N-(phenylmethoxymethyl)pyrimidine-2,4-diamine hydrochloride Traditional Name: (4-amino-5-veratryl-pyrimidin-2-yl)-(benzoxymethyl)amine hydrochloride Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)NCOCC3=CC=CC=C3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)NCOCC3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C21H24N4O3.ClH/c1-26-18-9-8-16(11-19(18)27-2)10-17-12-23-21(25-20(17)22)24-14-28-13-15-6-4-3-5-7-15;/h3-9,11-12H,10,13-14H2,1-2H3,(H3,22,23,24,25);1H