5-[[2-[(4-azanyl-3-methoxy-phenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[2-[(4-azanyl-3-methoxy-phenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-[(4-amino-3-methoxy-phenyl)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-[(4-amino-3-methoxyphenyl)methyl]-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-[(4-amino-3-methoxyphenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(4-amino-3-methoxy-benzyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C23H25N5O4 MolecularWeight: 435.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC)N

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC)N

InChI

InChI=1S/C23H25N5O4/c1-29-18-7-12(4-5-17(18)24)6-15-10-16-13(8-14-11-27-23(26)28-22(14)25)9-19(30-2)21(31-3)20(16)32-15/h4-5,7,9-11H,6,8,24H2,1-3H3,(H4,25,26,27,28)