N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-4-(ethylaminomethyl)-N-methyl-benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-4-(ethylaminomethyl)-N-methyl-benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-4-(ethylaminomethyl)-N-methyl-benzamide; 2,2,2-trifluoroacetic acid CAS Name: N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-4-(ethylaminomethyl)-N-methylbenzamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-4-(ethylaminomethyl)-N-methylbenzamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[4-[[3-(cyclopropylmethyl)-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-4-(ethylaminomethyl)-N-methyl-benzamide; 2,2,2-trifluoroacetic acid Formula: C36H36F4N6O5 MolecularWeight: 708.701853

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=C(C=C1)C(=O)N(C)C2=CC=C(C=C2)CC3=NC4=C(N3)C(=O)N(C(=O)N4CC5CC5)CC6=CC=CC=C6F.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCNCC1=CC=C(C=C1)C(=O)N(C)C2=CC=C(C=C2)CC3=NC4=C(N3)C(=O)N(C(=O)N4CC5CC5)CC6=CC=CC=C6F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H35FN6O3.C2HF3O2/c1-3-36-19-23-10-14-25(15-11-23)32(42)39(2)27-16-12-22(13-17-27)18-29-37-30-31(38-29)40(20-24-8-9-24)34(44)41(33(30)43)21-26-6-4-5-7-28(26)35;3-2(4,5)1(6)7/h4-7,10-17,24,36H,3,8-9,18-21H2,1-2H3,(H,37,38);(H,6,7)