N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-(pyridin-4-ylmethyl)pyrimidine-4,6-dicarboxamide

Systemtic Name: N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-(pyridin-4-ylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-(4-pyridylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-(pyridin-4-ylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N'-(coumaran-5-ylmethyl)-N-(4-pyridylmethyl)pyrimidine-4,6-dicarboxamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3/c27-20(23-11-14-3-6-22-7-4-14)17-10-18(26-13-25-17)21(28)24-12-15-1-2-19-16(9-15)5-8-29-19/h1-4,6-7,9-10,13H,5,8,11-12H2,(H,23,27)(H,24,28)