7-azanyl-2-(3-ethylpentyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-azanyl-2-(3-ethylpentyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-2-(3-ethylpentyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-2-(3-ethylpentyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-2-(3-ethylpentyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-2-(3-ethylpentyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC1=NN2C(=O)C(=C(N=C2S1)N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)CCC1=NN2C(=O)C(=C(N=C2S1)N)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O3S/c1-3-7(4-2)5-6-8-15-16-11(18)9(17(19)20)10(13)14-12(16)21-8/h7H,3-6,13H2,1-2H3