5-[[3,5-diethoxy-4-[4-(methylamino)phenyl]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-diethoxy-4-[4-(methylamino)phenyl]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-[4-(methylamino)phenyl]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-[4-(methylamino)phenyl]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-[4-(methylamino)phenyl]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]phenyl]-methyl-amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)NC)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)NC)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H27N5O2/c1-4-28-18-11-14(10-16-13-26-22(24)27-21(16)23)12-19(29-5-2)20(18)15-6-8-17(25-3)9-7-15/h6-9,11-13,25H,4-5,10H2,1-3H3,(H4,23,24,26,27)