5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[2-cyano-6-(2,2-diphenylethylamino)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C27H27N7O4 MolecularWeight: 513.54778

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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#N)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#N)O)O

InChI

InChI=1S/C27H27N7O4/c1-2-29-26(37)23-21(35)22(36)27(38-23)34-15-31-20-24(32-19(13-28)33-25(20)34)30-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,21-23,27,35-36H,2,14H2,1H3,(H,29,37)(H,30,32,33)