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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[(2-hydroxyethylamino)-oxomethyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-(2-hydroxyethylcarbamoyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C25H25N5O5 MolecularWeight: 475.4965

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O5/c31-9-8-26-23(32)18-4-1-16(2-5-18)13-27-24(33)20-12-21(30-15-29-20)25(34)28-14-17-3-6-22-19(11-17)7-10-35-22/h1-6,11-12,15,31H,7-10,13-14H2,(H,26,32)(H,27,33)(H,28,34)