N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)benzamide Openeye Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)benzamide Traditional Name: N-[6-amino-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]benzamide Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12N4O2S/c1-2-8-21-14-17-11(15)10(13(20)18-14)16-12(19)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,16,19)(H3,15,17,18,20)