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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[(1-methyl-3-piperidyl)oxy]phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[(1-methyl-3-piperidinyl)oxy]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-[(1-methyl-3-piperidyl)oxy]benzyl]pyrimidine-4,6-dicarboxamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)OC2=CC=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CN1CCCC(C1)OC2=CC=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C28H31N5O4/c1-33-11-2-3-23(17-33)37-22-7-4-19(5-8-22)15-29-27(34)24-14-25(32-18-31-24)28(35)30-16-20-6-9-26-21(13-20)10-12-36-26/h4-9,13-14,18,23H,2-3,10-12,15-17H2,1H3,(H,29,34)(H,30,35)