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

Systemtic Name: 4-chloranyl-N-[(2R,3R,4S,5R)-2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxamide Openeye Name: 4-chloro-N-[(2R,3R,4S,5R)-2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-5,6-dihydroxy-cyclohexa-1,3-diene-1-carboxamide CAS Name: 4-chloro-N-[(2R,3R,4S,5R)-2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 4-chloro-N-[(2R,3R,4S,5R)-2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5,6-dihydroxycyclohexa-1,3-diene-1-carboxamide Traditional Name: 4-chloro-N-[(2R,3R,4S,5R)-2-[6-(homoveratrylamino)purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]-5,6-dihydroxy-cyclohexa-1,3-diene-1-carboxamide Formula: C27H31ClN6O8 MolecularWeight: 603.02344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)NC(=O)C5=CC=C(C(C5O)O)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=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)OC

InChI

InChI=1S/C27H31ClN6O8/c1-40-16-6-3-13(9-17(16)41-2)7-8-29-24-20-25(31-11-30-24)34(12-32-20)27-19(23(38)18(10-35)42-27)33-26(39)14-4-5-15(28)22(37)21(14)36/h3-6,9,11-12,18-19,21-23,27,35-38H,7-8,10H2,1-2H3,(H,33,39)(H,29,30,31)/t18-,19-,21?,22?,23-,27-/m1/s1