5-[[4-(1,3-benzodioxol-5-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(1,3-benzodioxol-5-yl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C22H24N4O4/c1-3-27-18-8-13(7-15-11-25-22(24)26-21(15)23)9-19(28-4-2)20(18)14-5-6-16-17(10-14)30-12-29-16/h5-6,8-11H,3-4,7,12H2,1-2H3,(H4,23,24,25,26)