2-chloranyl-N1,N4-bis[3-(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: 2-chloranyl-N1,N4-bis[3-(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide Openeye Name: 2-chloro-N1,N4-bis[3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]terephthalamide CAS Name: 2-chloro-N1,N4-bis[3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 2-chloro-1-N,4-N-bis[3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide Traditional Name: 2-chloro-N,N'-bis[3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]terephthalamide Formula: C28H27ClN6O4 MolecularWeight: 547.00478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=CC(=C4)C5=NCC(CN5)O)Cl)O

Isomeric SMILES

C1C(CN=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=CC(=C4)C5=NCC(CN5)O)Cl)O

InChI

InChI=1S/C28H27ClN6O4/c29-24-11-18(27(38)34-19-5-1-3-16(9-19)25-30-12-21(36)13-31-25)7-8-23(24)28(39)35-20-6-2-4-17(10-20)26-32-14-22(37)15-33-26/h1-11,21-22,36-37H,12-15H2,(H,30,31)(H,32,33)(H,34,38)(H,35,39)