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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-(m-tolylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-(3-methylbenzyl)pyrimidine-4,6-dicarboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H22N4O3/c1-15-3-2-4-16(9-15)12-24-22(28)19-11-20(27-14-26-19)23(29)25-13-17-5-6-21-18(10-17)7-8-30-21/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,24,28)(H,25,29)