6-(1-ethylsulfanyl-2-nitro-ethyl)-1,3-dimethyl-pteridine-2,4-dione

Systemtic Name: 6-(1-ethylsulfanyl-2-nitro-ethyl)-1,3-dimethyl-pteridine-2,4-dione Openeye Name: 6-(1-ethylsulfanyl-2-nitro-ethyl)-1,3-dimethyl-pteridine-2,4-dione CAS Name: 6-[1-(ethylthio)-2-nitroethyl]-1,3-dimethylpteridine-2,4-dione IUPAC Name: 6-(1-ethylsulfanyl-2-nitroethyl)-1,3-dimethylpteridine-2,4-dione Traditional Name: 6-[1-(ethylthio)-2-nitro-ethyl]-1,3-dimethyl-pteridine-2,4-quinone Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C[N+](=O)[O-])C1=CN=C2C(=N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC(C[N+](=O)[O-])C1=CN=C2C(=N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H15N5O4S/c1-4-22-8(6-17(20)21)7-5-13-10-9(14-7)11(18)16(3)12(19)15(10)2/h5,8H,4,6H2,1-3H3