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

Systemtic Name: N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-[[5-(2-pyridyl)-2-thienyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-[[5-(2-pyridinyl)-2-thiophenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N'-(coumaran-5-ylmethyl)-N-[[5-(2-pyridyl)-2-thienyl]methyl]pyrimidine-4,6-dicarboxamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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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=C(S4)C5=CC=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC=C(S4)C5=CC=CC=N5

InChI

InChI=1S/C25H21N5O3S/c31-24(27-13-16-4-6-22-17(11-16)8-10-33-22)20-12-21(30-15-29-20)25(32)28-14-18-5-7-23(34-18)19-3-1-2-9-26-19/h1-7,9,11-12,15H,8,10,13-14H2,(H,27,31)(H,28,32)