2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-(methylthio)butyric acid Formula: C15H18N8O4S MolecularWeight: 406.41962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C3=C2C(=NC=N3)NC(CCSC)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C3=C2C(=NC=N3)NC(CCSC)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N8O4S/c1-21-9(23(26)27)6-16-14(21)11-10-12(17-7-18-13(10)22(2)20-11)19-8(15(24)25)4-5-28-3/h6-8H,4-5H2,1-3H3,(H,24,25)(H,17,18,19)