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

Systemtic Name: 7-azanyl-2-(4-tert-butylphenyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-2-(4-tert-butylphenyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-2-(4-tert-butylphenyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-2-(4-tert-butylphenyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-2-(4-tert-butylphenyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-15(2,3)9-6-4-8(5-7-9)12-18-19-13(21)10(20(22)23)11(16)17-14(19)24-12/h4-7H,16H2,1-3H3