1-[4-[[3,4-bis(oxidanyl)-2-purin-9-yl-oxolan-2-yl]amino]piperidin-1-yl]butan-1-one

Systemtic Name: 1-[4-[[3,4-bis(oxidanyl)-2-purin-9-yl-oxolan-2-yl]amino]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-[(3,4-dihydroxy-2-purin-9-yl-tetrahydrofuran-2-yl)amino]-1-piperidyl]butan-1-one CAS Name: 1-[4-[[3,4-dihydroxy-2-(9-purinyl)-2-oxolanyl]amino]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-[(3,4-dihydroxy-2-purin-9-yloxolan-2-yl)amino]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-[(3,4-dihydroxy-2-purin-9-yl-tetrahydrofuran-2-yl)amino]piperidino]butan-1-one Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(CC1)NC2(C(C(CO2)O)O)N3C=NC4=CN=CN=C43

Isomeric SMILES

CCCC(=O)N1CCC(CC1)NC2(C(C(CO2)O)O)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C18H26N6O4/c1-2-3-15(26)23-6-4-12(5-7-23)22-18(16(27)14(25)9-28-18)24-11-21-13-8-19-10-20-17(13)24/h8,10-12,14,16,22,25,27H,2-7,9H2,1H3