6-oxidanylidene-3-(3-oxidanylprop-1-ynyl)-N-(phenylmethyl)pyrimido[1,2-a]pyrimidine-7-carboxamide

Systemtic Name: 6-oxidanylidene-3-(3-oxidanylprop-1-ynyl)-N-(phenylmethyl)pyrimido[1,2-a]pyrimidine-7-carboxamide Openeye Name: N-benzyl-3-(3-hydroxyprop-1-ynyl)-6-oxo-pyrimido[1,2-a]pyrimidine-7-carboxamide CAS Name: 3-(3-hydroxyprop-1-ynyl)-6-oxo-N-(phenylmethyl)-7-pyrimido[1,2-a]pyrimidinecarboxamide IUPAC Name: N-benzyl-3-(3-hydroxyprop-1-ynyl)-6-oxopyrimido[1,2-a]pyrimidine-7-carboxamide Traditional Name: N-benzyl-3-(3-hydroxyprop-1-ynyl)-6-keto-pyrimido[1,2-a]pyrimidine-7-carboxamide Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN=C3N=CC(=CN3C2=O)C#CCO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN=C3N=CC(=CN3C2=O)C#CCO

InChI

InChI=1S/C18H14N4O3/c23-8-4-7-14-10-20-18-21-11-15(17(25)22(18)12-14)16(24)19-9-13-5-2-1-3-6-13/h1-3,5-6,10-12,23H,8-9H2,(H,19,24)