N-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-[6,8-bis(oxidanylidene)-3,7-dihydropurin-9-yl]piperidine-1-carboxamide

Systemtic Name: N-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-[6,8-bis(oxidanylidene)-3,7-dihydropurin-9-yl]piperidine-1-carboxamide Openeye Name: N-[1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]-4-(6,8-dioxo-3,7-dihydropurin-9-yl)piperidine-1-carboxamide CAS Name: N-[3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-[4-(1-piperidinyl)-1-piperidinyl]propan-2-yl]-4-(6,8-dioxo-3,7-dihydropurin-9-yl)-1-piperidinecarboxamide IUPAC Name: N-[3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(6,8-dioxo-3,7-dihydropurin-9-yl)piperidine-1-carboxamide Traditional Name: N-[1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-2-(4-piperidinopiperidino)ethyl]-4-(6,8-diketo-3,7-dihydropurin-9-yl)piperidine-1-carboxamide Formula: C30H38Br2N8O5 MolecularWeight: 750.48132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5C6=C(C(=O)N=CN6)NC5=O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5C6=C(C(=O)N=CN6)NC5=O

InChI

InChI=1S/C30H38Br2N8O5/c31-21-14-18(15-22(32)25(21)41)16-23(28(43)38-10-4-19(5-11-38)37-8-2-1-3-9-37)35-29(44)39-12-6-20(7-13-39)40-26-24(36-30(40)45)27(42)34-17-33-26/h14-15,17,19-20,23,41H,1-13,16H2,(H,35,44)(H,36,45)(H,33,34,42)