3-azanyl-6-ethanimidoyl-2-(phenylmethyl)-1,2,4-triazin-5-one

Systemtic Name: 3-azanyl-6-ethanimidoyl-2-(phenylmethyl)-1,2,4-triazin-5-one Openeye Name: 3-amino-2-benzyl-6-ethanimidoyl-1,2,4-triazin-5-one CAS Name: 3-amino-6-(1-iminoethyl)-2-(phenylmethyl)-1,2,4-triazin-5-one IUPAC Name: 3-amino-2-benzyl-6-ethanimidoyl-1,2,4-triazin-5-one Traditional Name: 6-acetimidoyl-3-amino-2-benzyl-1,2,4-triazin-5-one Formula: C12H13N5O MolecularWeight: 243.26452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=NN(C(=NC1=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC(=N)C1=NN(C(=NC1=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N5O/c1-8(13)10-11(18)15-12(14)17(16-10)7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H2,14,15,18)