(NZ)-N-[(E)-4-ethyl-5-nitro-1-(7H-purin-6-ylsulfanyl)hex-3-en-2-ylidene]hydroxylamine

Systemtic Name: (NZ)-N-[(E)-4-ethyl-5-nitro-1-(7H-purin-6-ylsulfanyl)hex-3-en-2-ylidene]hydroxylamine Openeye Name: (E)-4-ethyl-5-nitro-1-(7H-purin-6-ylsulfanyl)hex-3-en-2-one oxime CAS Name: (E)-4-ethyl-5-nitro-1-(7H-purin-6-ylthio)-3-hexen-2-one oxime IUPAC Name: (NZ)-N-[(E)-4-ethyl-5-nitro-1-(7H-purin-6-ylsulfanyl)hex-3-en-2-ylidene]hydroxylamine Traditional Name: (E)-4-ethyl-5-nitro-1-(7H-purin-6-ylthio)hex-3-en-2-one oxime Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=NO)CSC1=NC=NC2=C1NC=N2)C(C)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C(=N\O)\CSC1=NC=NC2=C1NC=N2)/C(C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O3S/c1-3-9(8(2)19(21)22)4-10(18-20)5-23-13-11-12(15-6-14-11)16-7-17-13/h4,6-8,20H,3,5H2,1-2H3,(H,14,15,16,17)/b9-4+,18-10-