1-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinyl]butan-2-yl]urea

Systemtic Name: 1-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinyl]butan-2-yl]urea Openeye Name: [(1S)-2-methyl-1-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]propyl]urea CAS Name: [(2S)-3-methyl-1-oxo-1-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]butan-2-yl]urea IUPAC Name: [(2S)-3-methyl-1-oxo-1-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]urea Traditional Name: [(1S)-1-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]-2-methyl-propyl]urea Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(C(C)C)NC(=O)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)N

InChI

InChI=1S/C18H24N6O4/c1-4-9-24-17(27)12-8-6-5-7-11(12)14(23-24)16(26)22-21-15(25)13(10(2)3)20-18(19)28/h5-8,10,13H,4,9H2,1-3H3,(H,21,25)(H,22,26)(H3,19,20,28)/t13-/m0/s1