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

Systemtic Name: 5-[[6,7-dimethoxy-2-[(7-methoxy-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(7-methoxy-1H-indol-3-yl)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(7-methoxy-1H-indol-3-yl)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(7-methoxy-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-[(7-methoxy-1H-indol-3-yl)methyl]benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2CC3=CC4=C(O3)C(=C(C=C4CC5=CN=C(N=C5N)N)OC)OC

Isomeric SMILES

COC1=CC=CC2=C1NC=C2CC3=CC4=C(O3)C(=C(C=C4CC5=CN=C(N=C5N)N)OC)OC

InChI

InChI=1S/C25H25N5O4/c1-31-19-6-4-5-17-14(11-28-21(17)19)8-16-10-18-13(7-15-12-29-25(27)30-24(15)26)9-20(32-2)23(33-3)22(18)34-16/h4-6,9-12,28H,7-8H2,1-3H3,(H4,26,27,29,30)