3-[(6,7-dimethoxy-2-prop-2-enyl-1-benzofuran-4-yl)methyl]-4H-pyrimidine-2,4-diamine

Systemtic Name: 3-[(6,7-dimethoxy-2-prop-2-enyl-1-benzofuran-4-yl)methyl]-4H-pyrimidine-2,4-diamine Openeye Name: 3-[(2-allyl-6,7-dimethoxy-benzofuran-4-yl)methyl]-4H-pyrimidine-2,4-diamine CAS Name: 3-[(6,7-dimethoxy-2-prop-2-enyl-4-benzofuranyl)methyl]-4H-pyrimidine-2,4-diamine IUPAC Name: 3-[(6,7-dimethoxy-2-prop-2-enyl-1-benzofuran-4-yl)methyl]-4H-pyrimidine-2,4-diamine Traditional Name: [3-[(2-allyl-6,7-dimethoxy-benzofuran-4-yl)methyl]-2-amino-4H-pyrimidin-4-yl]amine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC=C)C(=C1)CN3C(C=CN=C3N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC=C)C(=C1)CN3C(C=CN=C3N)N)OC

InChI

InChI=1S/C18H22N4O3/c1-4-5-12-9-13-11(10-22-15(19)6-7-21-18(22)20)8-14(23-2)17(24-3)16(13)25-12/h4,6-9,15H,1,5,10,19H2,2-3H3,(H2,20,21)