2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[(3-allyl-4-amino-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]-N-cyclohexylacetamide IUPAC Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[(3-allyl-4-amino-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-cyclohexyl-acetamide Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NC(=O)C=C1N)SCC(=O)NC2CCCCC2

Isomeric SMILES

C=CC[N+]1=C(NC(=O)C=C1N)SCC(=O)NC2CCCCC2

InChI

InChI=1S/C15H22N4O2S/c1-2-8-19-12(16)9-13(20)18-15(19)22-10-14(21)17-11-6-4-3-5-7-11/h2,9,11H,1,3-8,10H2,(H3,16,17,20,21)/p+1