ethyl 2-[2-[5-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)pentanoylamino]ethanoylamino]ethanoate dihydrate

Systemtic Name: ethyl 2-[2-[5-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)pentanoylamino]ethanoylamino]ethanoate dihydrate Openeye Name: ethyl 2-[[2-[5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoylamino]acetyl]amino]acetate dihydrate CAS Name: 2-[[2-[[5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-1-oxopentyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester dihydrate IUPAC Name: ethyl 2-[[2-[5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoylamino]acetyl]amino]acetate dihydrate Traditional Name: 2-[[2-[5-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)pentanoylamino]acetyl]amino]acetic acid ethyl ester dihydrate Formula: C15H27N5O8 MolecularWeight: 405.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)CCCCC1=C(N=C(NC1=O)N)O.O.O

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)CCCCC1=C(N=C(NC1=O)N)O.O.O

InChI

InChI=1S/C15H23N5O6.2H2O/c1-2-26-12(23)8-18-11(22)7-17-10(21)6-4-3-5-9-13(24)19-15(16)20-14(9)25;;/h2-8H2,1H3,(H,17,21)(H,18,22)(H4,16,19,20,24,25);2*1H2