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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[[4-(pyridin-4-ylmethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-(4-pyridylmethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[oxo-(pyridin-4-ylmethylamino)methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(pyridin-4-ylmethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-(4-pyridylmethylcarbamoyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C29H26N6O4 MolecularWeight: 522.55454

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CC=NC=C5

InChI

InChI=1S/C29H26N6O4/c36-27(31-16-20-7-10-30-11-8-20)22-4-1-19(2-5-22)15-32-28(37)24-14-25(35-18-34-24)29(38)33-17-21-3-6-26-23(13-21)9-12-39-26/h1-8,10-11,13-14,18H,9,12,15-17H2,(H,31,36)(H,32,37)(H,33,38)