N,N-bis(ethylsulfanyl)-5-nitro-6-(propan-2-ylamino)pyrimidine-4-carbothioamide

Systemtic Name: N,N-bis(ethylsulfanyl)-5-nitro-6-(propan-2-ylamino)pyrimidine-4-carbothioamide Openeye Name: N,N-bis(ethylsulfanyl)-6-(isopropylamino)-5-nitro-pyrimidine-4-carbothioamide CAS Name: N,N-bis(ethylthio)-5-nitro-6-(propan-2-ylamino)-4-pyrimidinecarbothioamide IUPAC Name: N,N-bis(ethylsulfanyl)-5-nitro-6-(propan-2-ylamino)pyrimidine-4-carbothioamide Traditional Name: N,N-bis(ethylthio)-6-(isopropylamino)-5-nitro-pyrimidine-4-carbothioamide Formula: C12H19N5O2S3 MolecularWeight: 361.50656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSN(C(=S)C1=C(C(=NC=N1)NC(C)C)[N+](=O)[O-])SCC

Isomeric SMILES

CCSN(C(=S)C1=C(C(=NC=N1)NC(C)C)[N+](=O)[O-])SCC

InChI

InChI=1S/C12H19N5O2S3/c1-5-21-17(22-6-2)12(20)9-10(16(18)19)11(14-7-13-9)15-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,14,15)