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

Systemtic Name: 5-[(3,4-dimethoxy-5-naphthalen-2-yl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-(2-naphthyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-(2-naphthalenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxy-5-naphthalen-2-ylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(2-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=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC4=CC=CC=C4C=C3)OC

InChI

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