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

Systemtic Name: [1-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-tridecyl] 2,6-bis(azanyl)hexanoate Openeye Name: [1-[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-tridecyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1-[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]-2-oxotridecyl] ester IUPAC Name: [1-[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-oxotridecyl] 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-tridecyl] ester Formula: C27H47N5O6 MolecularWeight: 537.69198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N5O6/c1-2-3-4-5-6-7-8-9-10-14-20(33)24(38-26(35)19(29)13-11-12-16-28)25-21(34)18-23(37-25)32-17-15-22(30)31-27(32)36/h15,17,19,21,23-25,34H,2-14,16,18,28-29H2,1H3,(H2,30,31,36)