1-[5-[3-[2-(6-aminopurin-9-yl)ethanoylamino]phenyl]thiophen-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[5-[3-[2-(6-aminopurin-9-yl)ethanoylamino]phenyl]thiophen-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-[5-[3-[[2-(6-aminopurin-9-yl)acetyl]amino]phenyl]thiophene-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: 1-[[5-[3-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]phenyl]-2-thiophenyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: 1-[5-[3-[[2-(6-aminopurin-9-yl)acetyl]amino]phenyl]thiophene-2-carbonyl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: 1-[5-[3-[(2-adenin-9-ylacetyl)amino]phenyl]thiophene-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C23H22N8O4S MolecularWeight: 506.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=C4N=CN=C5N)O

Isomeric SMILES

C1C(CN(C1C(=O)N)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=C4N=CN=C5N)O

InChI

InChI=1S/C23H22N8O4S/c24-20-19-22(27-10-26-20)30(11-28-19)9-18(33)29-13-3-1-2-12(6-13)16-4-5-17(36-16)23(35)31-8-14(32)7-15(31)21(25)34/h1-6,10-11,14-15,32H,7-9H2,(H2,25,34)(H,29,33)(H2,24,26,27)