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

Systemtic Name: N-[3-[bis(azanyl)methylideneamino]propyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-(3-guanidinopropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[3-(diaminomethylideneamino)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[3-(diaminomethylideneamino)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-(3-guanidinopropyl)-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O2/c15-14(16)18-7-3-6-17-12(21)8-11-9-4-1-2-5-10(9)13(22)20-19-11/h1-2,4-5H,3,6-8H2,(H,17,21)(H,20,22)(H4,15,16,18)