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

Systemtic Name: N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-[(1-methyl-2-pyrrolyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N'-(coumaran-5-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4,6-dicarboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C=CC=C1CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H21N5O3/c1-26-7-2-3-16(26)12-23-21(28)18-10-17(24-13-25-18)20(27)22-11-14-4-5-19-15(9-14)6-8-29-19/h2-5,7,9-10,13H,6,8,11-12H2,1H3,(H,22,27)(H,23,28)