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

Systemtic Name: 2-azanyl-N1,N4-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide Openeye Name: 2-amino-N1,N4-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]terephthalamide CAS Name: 2-amino-N1,N4-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 2-amino-1-N,4-N-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide Traditional Name: 2-amino-N,N'-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]terephthalamide Formula: C28H29N7O2 MolecularWeight: 495.57556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCCN5)N

Isomeric SMILES

C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCCN5)N

InChI

InChI=1S/C28H29N7O2/c29-24-17-20(27(36)34-21-8-3-18(4-9-21)25-30-13-1-14-31-25)7-12-23(24)28(37)35-22-10-5-19(6-11-22)26-32-15-2-16-33-26/h3-12,17H,1-2,13-16,29H2,(H,30,31)(H,32,33)(H,34,36)(H,35,37)