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

Systemtic Name: N-ethyl-3,4-bis(oxidanyl)-5-[6-[(4-propoxyphenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide Openeye Name: N-ethyl-3,4-dihydroxy-5-[6-[(4-propoxyphenyl)carbamoylamino]purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-3,4-dihydroxy-5-[6-[[oxo-(4-propoxyanilino)methyl]amino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: N-ethyl-3,4-dihydroxy-5-[6-[(4-propoxyphenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide Traditional Name: N-ethyl-3,4-dihydroxy-5-[6-[(4-propoxyphenyl)carbamoylamino]purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C22H27N7O6 MolecularWeight: 485.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)NCC)O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)NCC)O)O

InChI

InChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)