5-[(3,4-dimethoxy-5-phenylmethoxy-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,4-dimethoxy-5-phenylmethoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3-benzyloxy-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-benzoxy-4,5-dimethoxy-benzyl)pyrimidin-4-yl]amine Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(18(16)26-2)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)