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

Systemtic Name: 7-azanyl-2-(cyclohexylmethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-2-(cyclohexylmethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-2-(cyclohexylmethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-2-(cyclohexylmethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-2-(cyclohexylmethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3S/c13-10-9(17(19)20)11(18)16-12(14-10)21-8(15-16)6-7-4-2-1-3-5-7/h7H,1-6,13H2