N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-(thiophen-2-ylmethyl)pyrimidine-4,6-dicarboxamide

Systemtic Name: N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-(thiophen-2-ylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-(2-thienylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-(thiophen-2-ylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N'-(coumaran-5-ylmethyl)-N-(2-thenyl)pyrimidine-4,6-dicarboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC=CS4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H18N4O3S/c25-19(21-10-13-3-4-18-14(8-13)5-6-27-18)16-9-17(24-12-23-16)20(26)22-11-15-2-1-7-28-15/h1-4,7-9,12H,5-6,10-11H2,(H,21,25)(H,22,26)