(2S)-2-azanyl-N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-methyl-butanamide Openeye Name: (2S)-2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-methyl-butanamide CAS Name: (2S)-2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-methylbutanamide IUPAC Name: (2S)-2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-methylbutanamide Traditional Name: (2S)-2-amino-N-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-methyl-butyramide Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC2=C1C(=O)NNC2=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC2=C1C(=O)NNC2=O)N

InChI

InChI=1S/C13H16N4O3/c1-6(2)10(14)13(20)15-8-5-3-4-7-9(8)12(19)17-16-11(7)18/h3-6,10H,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)/t10-/m0/s1