1-cyclopropyl-6-oxidanylidene-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-sulfanylidene-5H-pyrimidin-4-olate

Systemtic Name: 1-cyclopropyl-6-oxidanylidene-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-sulfanylidene-5H-pyrimidin-4-olate Openeye Name: 1-cyclopropyl-6-oxo-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-thioxo-5H-pyrimidin-4-olate CAS Name: 1-cyclopropyl-6-oxo-5-[3-(1-piperidin-1-iumyl)propyliminomethyl]-2-sulfanylidene-5H-pyrimidin-4-olate IUPAC Name: 1-cyclopropyl-6-oxo-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-sulfanylidene-5H-pyrimidin-4-olate Traditional Name: 1-cyclopropyl-6-keto-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-thioxo-5H-pyrimidin-4-olate Formula: C16H24N4O2S MolecularWeight: 336.45236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN=CC2C(=NC(=S)N(C2=O)C3CC3)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCN=CC2C(=NC(=S)N(C2=O)C3CC3)[O-]

InChI

InChI=1S/C16H24N4O2S/c21-14-13(15(22)20(12-5-6-12)16(23)18-14)11-17-7-4-10-19-8-2-1-3-9-19/h11-13H,1-10H2,(H,18,21,23)