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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]butyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-(4-guanidinobutyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[4-(diaminomethylideneamino)butyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[4-(diaminomethylideneamino)butyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-(4-guanidinobutyl)-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O2/c16-15(17)19-8-4-3-7-18-13(22)9-12-10-5-1-2-6-11(10)14(23)21-20-12/h1-2,5-6H,3-4,7-9H2,(H,18,22)(H,21,23)(H4,16,17,19)