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

Systemtic Name: N1,N4-bis[3-[[4-(3-methylbutylamino)pyrimidin-2-yl]amino]propyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[3-[[4-(isopentylamino)pyrimidin-2-yl]amino]propyl]terephthalamide CAS Name: N1,N4-bis[3-[[4-(3-methylbutylamino)-2-pyrimidinyl]amino]propyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[3-[[4-(3-methylbutylamino)pyrimidin-2-yl]amino]propyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[3-[[4-(isoamylamino)pyrimidin-2-yl]amino]propyl]terephthalamide Formula: C32H48N10O2 MolecularWeight: 604.78932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48N10O2/c1-23(2)11-19-33-27-13-21-39-31(41-27)37-17-5-15-35-29(43)25-7-9-26(10-8-25)30(44)36-16-6-18-38-32-40-22-14-28(42-32)34-20-12-24(3)4/h7-10,13-14,21-24H,5-6,11-12,15-20H2,1-4H3,(H,35,43)(H,36,44)(H2,33,37,39,41)(H2,34,38,40,42)