[1-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] 2,6-bis(azanyl)hexanoate

Systemtic Name: [1-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] 2,6-bis(azanyl)hexanoate Openeye Name: [1-[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-heptadecyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1-[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]-2-oxoheptadecyl] ester IUPAC Name: [1-[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-oxoheptadecyl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [1-[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-heptadecyl] ester Formula: C31H55N5O6 MolecularWeight: 593.7983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=CC(=NC2=O)N)O)OC(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=CC(=NC2=O)N)O)OC(=O)C(CCCCN)N

InChI

InChI=1S/C31H55N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(37)28(42-30(39)23(33)17-15-16-20-32)29-25(38)22-27(41-29)36-21-19-26(34)35-31(36)40/h19,21,23,25,27-29,38H,2-18,20,22,32-33H2,1H3,(H2,34,35,40)