2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(4-methylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(4-methylpyridin-1-ium-2-yl)ethanamide Openeye Name: 2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanyl-N-(4-methylpyridin-1-ium-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-N-(4-methyl-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylpyridin-1-ium-2-yl)acetamide Traditional Name: 2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]-N-(4-methylpyridin-1-ium-2-yl)acetamide Formula: C15H18N5O2S+ MolecularWeight: 332.40072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C15H17N5O2S/c1-3-6-20-11(16)8-13(21)19-15(20)23-9-14(22)18-12-7-10(2)4-5-17-12/h3-5,7-8H,1,6,9,16H2,2H3,(H,17,18,22)/p+1