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

Systemtic Name: 7-azanyl-2-(2-cyclododecylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-2-(2-cyclododecylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-2-(2-cyclododecylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-2-(2-cyclododecylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-2-(2-cyclododecylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)CCC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCCCC(CCCCC1)CCC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O3S/c20-17-16(24(26)27)18(25)23-19(21-17)28-15(22-23)13-12-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13,20H2