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

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-(3-ketopiperazine-1-carbonyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C27H26N6O5 MolecularWeight: 514.53254

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)N5CCNC(=O)C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)N5CCNC(=O)C5

InChI

InChI=1S/C27H26N6O5/c34-24-15-33(9-8-28-24)27(37)19-4-1-17(2-5-19)13-29-25(35)21-12-22(32-16-31-21)26(36)30-14-18-3-6-23-20(11-18)7-10-38-23/h1-6,11-12,16H,7-10,13-15H2,(H,28,34)(H,29,35)(H,30,36)