4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-1-benzofuran-2-carbaldehyde

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-1-benzofuran-2-carbaldehyde Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-carbaldehyde CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-2-benzofurancarboxaldehyde IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-carbaldehyde Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-coumarilaldehyde Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C=O)C(=C1)CC3=CN=C(N=C3N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C=O)C(=C1)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C16H16N4O4/c1-22-12-4-8(3-9-6-19-16(18)20-15(9)17)11-5-10(7-21)24-13(11)14(12)23-2/h4-7H,3H2,1-2H3,(H4,17,18,19,20)