5-[[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3,4,5-trimethoxybenzyl)oxybenzyl]pyrimidin-4-yl]amine Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C21H24N4O4/c1-26-17-9-14(10-18(27-2)19(17)28-3)12-29-16-6-4-13(5-7-16)8-15-11-24-21(23)25-20(15)22/h4-7,9-11H,8,12H2,1-3H3,(H4,22,23,24,25)