6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]purine-2-carboxamide

Systemtic Name: 6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]purine-2-carboxamide Openeye Name: N-(1-benzylpyrrolidin-1-ium-1-yl)-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-2-carboxamide CAS Name: 6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-N-[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]-2-purinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-1-ium-1-yl)-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxamide Traditional Name: N-(1-benzylpyrrolidin-1-ium-1-yl)-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-2-carboxamide Formula: C38H43N8O5+ MolecularWeight: 691.79862

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N[N+]6(CCCC6)CC7=CC=CC=C7)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N[N+]6(CCCC6)CC7=CC=CC=C7)O)O

InChI

InChI=1S/C38H42N8O5/c1-2-39-36(49)32-30(47)31(48)38(51-32)45-24-41-29-33(40-22-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27)42-34(43-35(29)45)37(50)44-46(20-12-13-21-46)23-25-14-6-3-7-15-25/h3-11,14-19,24,28,30-32,38,47-48H,2,12-13,20-23H2,1H3,(H2-,39,40,42,43,44,49,50)/p+1