N4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(3S)-1,1-dioxothiolan-3-yl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(3S)-1,1-dioxo-3-thiolanyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(3S)-1,1-dioxothiolan-3-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(3S)-1,1-diketothiolan-3-yl]amine Formula: C8H11N5O4S MolecularWeight: 273.26904

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C8H11N5O4S/c9-7-6(13(14)15)8(11-4-10-7)12-5-1-2-18(16,17)3-5/h4-5H,1-3H2,(H3,9,10,11,12)/t5-/m0/s1