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

Systemtic Name: 5-[[6,7-dimethoxy-2-(phenylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2-benzyl-6,7-dimethoxy-benzofuran-4-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-(phenylmethyl)-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(2-benzyl-6,7-dimethoxy-1-benzofuran-4-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-benzyl-6,7-dimethoxy-benzofuran-4-yl)methyl]pyrimidin-4-yl]amine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-27-18-10-14(9-15-12-25-22(24)26-21(15)23)17-11-16(29-19(17)20(18)28-2)8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H4,23,24,25,26)