N-ethyl-5-[2-hex-1-ynyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: N-ethyl-5-[2-hex-1-ynyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: N-ethyl-5-[2-hex-1-ynyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-5-[2-hex-1-ynyl-6-[[(4-methoxyanilino)-oxomethyl]amino]-9-purinyl]-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: N-ethyl-5-[2-hex-1-ynyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: N-ethyl-5-[2-hex-1-ynyl-6-[(4-methoxyphenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C26H31N7O6 MolecularWeight: 537.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)NC(=O)NC3=CC=C(C=C3)OC)N=CN2C4C(C(C(O4)C(=O)NCC)O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)NC(=O)NC3=CC=C(C=C3)OC)N=CN2C4C(C(C(O4)C(=O)NCC)O)O

InChI

InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)