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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-(2-pyridin-2-ylethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[2-(2-pyridyl)ethyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[2-(2-pyridinyl)ethyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[2-(2-pyridyl)ethyl]pyrimidine-4,6-dicarboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCCC4=CC=CC=N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C22H21N5O3/c28-21(24-9-6-17-3-1-2-8-23-17)18-12-19(27-14-26-18)22(29)25-13-15-4-5-20-16(11-15)7-10-30-20/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,24,28)(H,25,29)