[1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] 2,6-bis(azanyl)hexanoate

Systemtic Name: [1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] 2,6-bis(azanyl)hexanoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-heptadecyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-2-oxoheptadecyl] ester IUPAC Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-2-oxoheptadecyl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-heptadecyl] ester Formula: C32H55N7O6 MolecularWeight: 633.8224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)C(CCCCN)N

InChI

InChI=1S/C32H55N7O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(40)27(45-31(43)22(34)17-15-16-19-33)28-24(41)20-25(44-28)39-21-36-26-29(39)37-32(35)38-30(26)42/h21-22,24-25,27-28,41H,2-20,33-34H2,1H3,(H3,35,37,38,42)