N1,N4-bis[4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methyl]phenyl]terephthalamide CAS Name: N1,N4-bis[4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl]phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methyl]phenyl]terephthalamide Formula: C38H36N10O6 MolecularWeight: 728.75584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)CC6=NC7=C(N6C)C(=O)N(C(=O)N7C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)CC6=NC7=C(N6C)C(=O)N(C(=O)N7C)C

InChI

InChI=1S/C38H36N10O6/c1-43-27(41-31-29(43)35(51)47(5)37(53)45(31)3)19-21-7-15-25(16-8-21)39-33(49)23-11-13-24(14-12-23)34(50)40-26-17-9-22(10-18-26)20-28-42-32-30(44(28)2)36(52)48(6)38(54)46(32)4/h7-18H,19-20H2,1-6H3,(H,39,49)(H,40,50)