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

Systemtic Name: 5-[2-chloranyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[2-chloro-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[2-chloro-6-[[(4-methoxyanilino)-oxomethyl]amino]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[2-chloro-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[2-chloro-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C20H22ClN7O6 MolecularWeight: 491.88498

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC(=O)NC4=CC=C(C=C4)OC)Cl)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC(=O)NC4=CC=C(C=C4)OC)Cl)O)O

InChI

InChI=1S/C20H22ClN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)