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

Systemtic Name: N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N4-(pyrazin-2-ylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-(pyrazin-2-ylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-N4-(2-pyrazinylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N'-(coumaran-5-ylmethyl)-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-dicarboxamide Formula: C20H18N6O3 MolecularWeight: 390.39532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=NC=CN=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=NC=CN=C4

InChI

InChI=1S/C20H18N6O3/c27-19(23-9-13-1-2-18-14(7-13)3-6-29-18)16-8-17(26-12-25-16)20(28)24-11-15-10-21-4-5-22-15/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,23,27)(H,24,28)