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

Systemtic Name: N6-[[4-(cyanocarbamoyl)phenyl]methyl]-N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N6-[[4-(cyanocarbamoyl)phenyl]methyl]-N4-(2,3-dihydrobenzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N6-[[4-[(cyanoamino)-oxomethyl]phenyl]methyl]-N4-(2,3-dihydrobenzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-[[4-(cyanocarbamoyl)phenyl]methyl]-4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-(cyanocarbamoyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C24H20N6O4 MolecularWeight: 456.4534

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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)NC#N

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O4/c25-13-28-22(31)17-4-1-15(2-5-17)11-26-23(32)19-10-20(30-14-29-19)24(33)27-12-16-3-6-21-18(9-16)7-8-34-21/h1-6,9-10,14H,7-8,11-12H2,(H,26,32)(H,27,33)(H,28,31)