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

Systemtic Name: 5-[(3,4-dimethoxy-5-naphthalen-1-yl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-(1-naphthyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-(1-naphthalenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxy-5-naphthalen-1-ylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(1-naphthyl)benzyl]pyrimidin-4-yl]amine Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C23H22N4O2/c1-28-20-12-14(10-16-13-26-23(25)27-22(16)24)11-19(21(20)29-2)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,11-13H,10H2,1-2H3,(H4,24,25,26,27)