N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C26H25FN8O3 MolecularWeight: 516.526903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NC(=O)C5=NC=NN5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NC(=O)C5=NC=NN5

InChI

InChI=1S/C26H25FN8O3/c1-2-3-12-34-23-21(25(37)35(26(34)38)14-17-6-4-5-7-19(17)27)31-20(32-23)13-16-8-10-18(11-9-16)30-24(36)22-28-15-29-33-22/h4-11,15H,2-3,12-14H2,1H3,(H,30,36)(H,31,32)(H,28,29,33)