N-[2-[bis(azanyl)methylideneamino]ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[2-[bis(azanyl)methylideneamino]ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-(2-guanidinoethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[2-(diaminomethylideneamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[2-(diaminomethylideneamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-(2-guanidinoethyl)-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCN=C(N)N

InChI

InChI=1S/C13H16N6O2/c14-13(15)17-6-5-16-11(20)7-10-8-3-1-2-4-9(8)12(21)19-18-10/h1-4H,5-7H2,(H,16,20)(H,19,21)(H4,14,15,17)