5-[6-azanyl-2-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-azanyl-2-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-2-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-2-[3-(4-methyl-1-piperazinyl)prop-1-ynyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-2-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-2-[3-(4-methylpiperazino)prop-1-ynyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C20H28N8O4 MolecularWeight: 444.48752

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCN4CCN(CC4)C)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCN4CCN(CC4)C)O)O

InChI

InChI=1S/C20H28N8O4/c1-3-22-19(31)16-14(29)15(30)20(32-16)28-11-23-13-17(21)24-12(25-18(13)28)5-4-6-27-9-7-26(2)8-10-27/h11,14-16,20,29-30H,3,6-10H2,1-2H3,(H,22,31)(H2,21,24,25)