5-[[(2S,3S)-3-methylpentan-2-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(2S,3S)-3-methylpentan-2-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(1S,2S)-1,2-dimethylbutyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S,3S)-3-methylpentan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S,3S)-3-methylpentan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(1S,2S)-1,2-dimethylbutyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C14H18N3O2- MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)NC1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

CC[C@H](C)[C@H](C)NC1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C14H19N3O2/c1-4-8(2)9(3)15-11-7-5-6-10-12(11)14(19)17-16-13(10)18/h5-9,15H,4H2,1-3H3,(H,16,18)(H,17,19)/p-1/t8-,9-/m0/s1