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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[[4-(4-oxidanylidenepiperidin-1-yl)carbonylphenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-(4-oxopiperidine-1-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[oxo-(4-oxo-1-piperidinyl)methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(4-oxopiperidine-1-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-(4-ketopiperidine-1-carbonyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C28H27N5O5/c34-22-7-10-33(11-8-22)28(37)20-4-1-18(2-5-20)15-29-26(35)23-14-24(32-17-31-23)27(36)30-16-19-3-6-25-21(13-19)9-12-38-25/h1-6,13-14,17H,7-12,15-16H2,(H,29,35)(H,30,36)