5-nitro-N4-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(tetrahydrothiophen-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(2-thiolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(tetrahydrothiophen-2-ylmethyl)amine Formula: C9H13N5O2S MolecularWeight: 255.29682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)CNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1CC(SC1)CNC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C9H13N5O2S/c10-8-7(14(15)16)9(13-5-12-8)11-4-6-2-1-3-17-6/h5-6H,1-4H2,(H3,10,11,12,13)