methyl 2-(azanylidynemethyl)-2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-thiophen-3-yl-propanoate

Systemtic Name: methyl 2-(azanylidynemethyl)-2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-thiophen-3-yl-propanoate Openeye Name: methyl 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-(nitridomethyl)-3-(3-thienyl)propanoate CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-(nitrilomethyl)-3-(3-thiophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-(azanylidynemethyl)-3-thiophen-3-ylpropanoate Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-2-(nitrilomethyl)-3-(3-thienyl)propionic acid methyl ester Formula: C13H11N5O5S MolecularWeight: 351.314482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CSC=C1)(C#N)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CSC=C1)([14C]#N)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O5S/c1-23-11(20)13(6-14,4-7-2-3-24-5-7)9-8(18(21)22)10(19)17-12(15)16-9/h2-3,5H,4H2,1H3,(H3,15,16,17,19)/i6+2