5-[3-[4,6-bis(azanyl)-2H-1,3,5-triazin-1-yl]phenyl]-2-phenyl-pentanenitrile

Systemtic Name: 5-[3-[4,6-bis(azanyl)-2H-1,3,5-triazin-1-yl]phenyl]-2-phenyl-pentanenitrile Openeye Name: 5-[3-(4,6-diamino-2H-1,3,5-triazin-1-yl)phenyl]-2-phenyl-pentanenitrile CAS Name: 5-[3-(4,6-diamino-2H-1,3,5-triazin-1-yl)phenyl]-2-phenylpentanenitrile IUPAC Name: 5-[3-(4,6-diamino-2H-1,3,5-triazin-1-yl)phenyl]-2-phenylpentanenitrile Traditional Name: 5-[3-(4,6-diamino-2H-s-triazin-1-yl)phenyl]-2-phenyl-valeronitrile Formula: C20H22N6 MolecularWeight: 346.42888

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=CC=CC(=C2)CCCC(C#N)C3=CC=CC=C3)N)N

Isomeric SMILES

C1N=C(N=C(N1C2=CC=CC(=C2)CCCC(C#N)C3=CC=CC=C3)N)N

InChI

InChI=1S/C20H22N6/c21-13-17(16-8-2-1-3-9-16)10-4-6-15-7-5-11-18(12-15)26-14-24-19(22)25-20(26)23/h1-3,5,7-9,11-12,17H,4,6,10,14H2,(H4,22,23,24,25)