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

Systemtic Name: 5-[[3-(furan-2-yl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(2-furyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(2-furanyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(furan-2-yl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(2-furyl)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine Formula: C17H18N4O3 MolecularWeight: 326.34982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC=CO3)OC

InChI

InChI=1S/C17H18N4O3/c1-22-14-8-10(6-11-9-20-17(19)21-16(11)18)7-12(15(14)23-2)13-4-3-5-24-13/h3-5,7-9H,6H2,1-2H3,(H4,18,19,20,21)