4-(6-azanyl-2-azanylidene-5-nitro-1-oxidanyl-pyrimidin-4-yl)butanethial

Systemtic Name: 4-(6-azanyl-2-azanylidene-5-nitro-1-oxidanyl-pyrimidin-4-yl)butanethial Openeye Name: 4-(6-amino-1-hydroxy-2-imino-5-nitro-pyrimidin-4-yl)butanethial CAS Name: 4-(6-amino-1-hydroxy-2-imino-5-nitro-4-pyrimidinyl)butanethial IUPAC Name: 4-(6-amino-1-hydroxy-2-imino-5-nitropyrimidin-4-yl)butanethial Traditional Name: 4-(6-amino-1-hydroxy-2-imino-5-nitro-pyrimidin-4-yl)thiobutyraldehyde Formula: C8H11N5O3S MolecularWeight: 257.26964

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Descriptors Computed from Structure

Canonical SMILES:

C(CC=S)CC1=NC(=N)N(C(=C1[N+](=O)[O-])N)O

Isomeric SMILES

C(CC=S)CC1=NC(=N)N(C(=C1[N+](=O)[O-])N)O

InChI

InChI=1S/C8H11N5O3S/c9-7-6(13(15)16)5(3-1-2-4-17)11-8(10)12(7)14/h4,10,14H,1-3,9H2