2-[2-(7H-purin-6-ylamino)ethyl]phthalazin-1-one

Systemtic Name: 2-[2-(7H-purin-6-ylamino)ethyl]phthalazin-1-one Openeye Name: 2-[2-(7H-purin-6-ylamino)ethyl]phthalazin-1-one CAS Name: 2-[2-(7H-purin-6-ylamino)ethyl]-1-phthalazinone IUPAC Name: 2-[2-(7H-purin-6-ylamino)ethyl]phthalazin-1-one Traditional Name: 2-[2-(7H-purin-6-ylamino)ethyl]phthalazin-1-one Formula: C15H13N7O MolecularWeight: 307.31002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C15H13N7O/c23-15-11-4-2-1-3-10(11)7-21-22(15)6-5-16-13-12-14(18-8-17-12)20-9-19-13/h1-4,7-9H,5-6H2,(H2,16,17,18,19,20)