N4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(3S)-1,1-dioxothiolan-3-yl]-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(3S)-1,1-dioxo-3-thiolanyl]-N4-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-[(3S)-1,1-diketothiolan-3-yl]-methyl-amine Formula: C9H13N5O4S MolecularWeight: 287.29562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=NC(=NC=C2[N+](=O)[O-])N

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C2=NC(=NC=C2[N+](=O)[O-])N

InChI

InChI=1S/C9H13N5O4S/c1-13(6-2-3-19(17,18)5-6)8-7(14(15)16)4-11-9(10)12-8/h4,6H,2-3,5H2,1H3,(H2,10,11,12)/t6-/m0/s1