8-oxidanylidene-2-(3-oxidanylprop-1-ynyl)-N-(phenylmethyl)pyrimido[1,2-b][1,2,4]triazine-7-carboxamide

Systemtic Name: 8-oxidanylidene-2-(3-oxidanylprop-1-ynyl)-N-(phenylmethyl)pyrimido[1,2-b][1,2,4]triazine-7-carboxamide Openeye Name: N-benzyl-2-(3-hydroxyprop-1-ynyl)-8-oxo-pyrimido[1,2-b][1,2,4]triazine-7-carboxamide CAS Name: 2-(3-hydroxyprop-1-ynyl)-8-oxo-N-(phenylmethyl)-7-pyrimido[1,2-b][1,2,4]triazinecarboxamide IUPAC Name: N-benzyl-2-(3-hydroxyprop-1-ynyl)-8-oxopyrimido[1,2-b][1,2,4]triazine-7-carboxamide Traditional Name: N-benzyl-2-(3-hydroxyprop-1-ynyl)-8-keto-pyrimido[1,2-b][1,2,4]triazine-7-carboxamide Formula: C17H13N5O3 MolecularWeight: 335.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN=C3N=CC(=NN3C2=O)C#CCO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN=C3N=CC(=NN3C2=O)C#CCO

InChI

InChI=1S/C17H13N5O3/c23-8-4-7-13-10-19-17-20-11-14(16(25)22(17)21-13)15(24)18-9-12-5-2-1-3-6-12/h1-3,5-6,10-11,23H,8-9H2,(H,18,24)