7-oxidanylidene-N-(phenylmethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 7-oxidanylidene-N-(phenylmethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-benzyl-7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 7-oxo-N-(phenylmethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide IUPAC Name: N-benzyl-7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-benzyl-7-keto-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=N1)N=C(N2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N2C(=N1)N=C(N2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O2/c1-2-6-12-9-13(22)21-16(18-12)19-14(20-21)15(23)17-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,17,23)(H,18,19,20)