N4-[(6-azanylpyridin-3-yl)methyl]-N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(6-azanylpyridin-3-yl)methyl]-N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N4-[(6-amino-3-pyridyl)methyl]-N6-(2,3-dihydrobenzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N4-[(6-amino-3-pyridinyl)methyl]-N6-(2,3-dihydrobenzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-[(6-aminopyridin-3-yl)methyl]-6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N-[(6-amino-3-pyridyl)methyl]-N'-(coumaran-5-ylmethyl)pyrimidine-4,6-dicarboxamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CN=C(C=C4)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CN=C(C=C4)N

InChI

InChI=1S/C21H20N6O3/c22-19-4-2-14(10-23-19)11-25-21(29)17-8-16(26-12-27-17)20(28)24-9-13-1-3-18-15(7-13)5-6-30-18/h1-4,7-8,10,12H,5-6,9,11H2,(H2,22,23)(H,24,28)(H,25,29)