5-[[6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-(3-thienylmethyl)benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-(3-thiophenylmethyl)-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-(3-thenyl)benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CSC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CSC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C20H20N4O3S/c1-25-16-7-12(6-13-9-23-20(22)24-19(13)21)15-8-14(5-11-3-4-28-10-11)27-17(15)18(16)26-2/h3-4,7-10H,5-6H2,1-2H3,(H4,21,22,23,24)