4-chloranyl-N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]purin-9-yl]oxolan-3-yl]-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 4-chloranyl-N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]purin-9-yl]oxolan-3-yl]-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxamide Openeye Name: 4-chloro-5,6-dihydroxy-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]purin-9-yl]tetrahydrofuran-3-yl]cyclohexa-1,3-diene-1-carboxamide CAS Name: 4-chloro-5,6-dihydroxy-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[3-(2-oxo-1-pyrrolidinyl)propylamino]-9-purinyl]-3-oxolanyl]-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 4-chloro-5,6-dihydroxy-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]purin-9-yl]oxolan-3-yl]cyclohexa-1,3-diene-1-carboxamide Traditional Name: 4-chloro-5,6-dihydroxy-N-[(2R,3R,4S,5R)-4-hydroxy-2-[6-[3-(2-ketopyrrolidino)propylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3-yl]cyclohexa-1,3-diene-1-carboxamide Formula: C24H30ClN7O7 MolecularWeight: 563.9907

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)NC(=O)C5=CC=C(C(C5O)O)Cl

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC=C(C(C5O)O)Cl

InChI

InChI=1S/C24H30ClN7O7/c25-13-5-4-12(18(35)19(13)36)23(38)30-16-20(37)14(9-33)39-24(16)32-11-29-17-21(27-10-28-22(17)32)26-6-2-8-31-7-1-3-15(31)34/h4-5,10-11,14,16,18-20,24,33,35-37H,1-3,6-9H2,(H,30,38)(H,26,27,28)/t14-,16-,18?,19?,20-,24-/m1/s1