3-(6-azanylhexylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(6-azanylhexylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(6-aminohexylamino)-6-benzyl-2H-1,2,4-triazin-5-one CAS Name: 3-(6-aminohexylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(6-aminohexylamino)-6-benzyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(6-aminohexylamino)-6-benzyl-2H-1,2,4-triazin-5-one Formula: C16H23N5O MolecularWeight: 301.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCCCCCN

InChI

InChI=1S/C16H23N5O/c17-10-6-1-2-7-11-18-16-19-15(22)14(20-21-16)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,17H2,(H2,18,19,21,22)