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

Systemtic Name: 5-[[3,5-diethoxy-4-(4-phenylbutoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-(4-phenylbutoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-(4-phenylbutoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(4-phenylbutoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diethoxy-4-(4-phenylbutoxy)benzyl]pyrimidin-4-yl]amine Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCCCCC2=CC=CC=C2)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCCCCC2=CC=CC=C2)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C25H32N4O3/c1-3-30-21-15-19(14-20-17-28-25(27)29-24(20)26)16-22(31-4-2)23(21)32-13-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,15-17H,3-4,8-9,12-14H2,1-2H3,(H4,26,27,28,29)