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

Systemtic Name: N-[2-[bis(azanyl)methylideneamino]ethyl]-3-(4-oxidanylidene-3H-phthalazin-1-yl)propanamide Openeye Name: N-(2-guanidinoethyl)-3-(4-oxo-3H-phthalazin-1-yl)propanamide CAS Name: N-[2-(diaminomethylideneamino)ethyl]-3-(4-oxo-3H-phthalazin-1-yl)propanamide IUPAC Name: N-[2-(diaminomethylideneamino)ethyl]-3-(4-oxo-3H-phthalazin-1-yl)propanamide Traditional Name: N-(2-guanidinoethyl)-3-(4-keto-3H-phthalazin-1-yl)propionamide Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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