N1,N4-bis[6-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]hexyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[6-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]hexyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[6-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]hexyl]terephthalamide CAS Name: N1,N4-bis[6-[[4-(2-diethylaminoethylamino)-2-pyrimidinyl]amino]hexyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[6-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]hexyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[6-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]hexyl]terephthalamide Formula: C40H66N12O2 MolecularWeight: 747.03124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC=C1)NCCCCCCNC(=O)C2=CC=C(C=C2)C(=O)NCCCCCCNC3=NC=CC(=N3)NCCN(CC)CC

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC=C1)NCCCCCCNC(=O)C2=CC=C(C=C2)C(=O)NCCCCCCNC3=NC=CC(=N3)NCCN(CC)CC

InChI

InChI=1S/C40H66N12O2/c1-5-51(6-2)31-29-41-35-21-27-47-39(49-35)45-25-15-11-9-13-23-43-37(53)33-17-19-34(20-18-33)38(54)44-24-14-10-12-16-26-46-40-48-28-22-36(50-40)42-30-32-52(7-3)8-4/h17-22,27-28H,5-16,23-26,29-32H2,1-4H3,(H,43,53)(H,44,54)(H2,41,45,47,49)(H2,42,46,48,50)