N1,N4-bis[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]terephthalamide CAS Name: N1,N4-bis[3-[[4-(2-diethylaminoethylamino)-2-pyrimidinyl]amino]propyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]terephthalamide Formula: C34H54N12O2 MolecularWeight: 662.87176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC=C1)NCCCNC(=O)C2=CC=C(C=C2)C(=O)NCCCNC3=NC=CC(=N3)NCCN(CC)CC

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC=C1)NCCCNC(=O)C2=CC=C(C=C2)C(=O)NCCCNC3=NC=CC(=N3)NCCN(CC)CC

InChI

InChI=1S/C34H54N12O2/c1-5-45(6-2)25-23-35-29-15-21-41-33(43-29)39-19-9-17-37-31(47)27-11-13-28(14-12-27)32(48)38-18-10-20-40-34-42-22-16-30(44-34)36-24-26-46(7-3)8-4/h11-16,21-22H,5-10,17-20,23-26H2,1-4H3,(H,37,47)(H,38,48)(H2,35,39,41,43)(H2,36,40,42,44)