5-fluoranyl-1H-pyrimidine-2,4-dione; methyl (2S)-2-azanyl-4-[bis(azanyl)methylideneamino]oxy-butanoate

Systemtic Name: 5-fluoranyl-1H-pyrimidine-2,4-dione; methyl (2S)-2-azanyl-4-[bis(azanyl)methylideneamino]oxy-butanoate Openeye Name: 5-fluoro-1H-pyrimidine-2,4-dione; methyl (2S)-2-amino-4-guanidinooxy-butanoate CAS Name: (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid methyl ester; 5-fluoro-1H-pyrimidine-2,4-dione IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione; methyl (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoate Traditional Name: (2S)-2-amino-4-guanidinooxy-butyric acid methyl ester; 5-fluorouracil Formula: C10H17FN6O5 MolecularWeight: 320.277583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCON=C(N)N)N.C1=C(C(=O)NC(=O)N1)F

Isomeric SMILES

COC(=O)[C@H](CCON=C(N)N)N.C1=C(C(=O)NC(=O)N1)F

InChI

InChI=1S/C6H14N4O3.C4H3FN2O2/c1-12-5(11)4(7)2-3-13-10-6(8)9;5-2-1-6-4(9)7-3(2)8/h4H,2-3,7H2,1H3,(H4,8,9,10);1H,(H2,6,7,8,9)/t4-;/m0./s1