2-ethanoyl-7-methoxy-5-methylsulfanyl-1-(phenylmethyl)imidazo[1,2-c]pyrimidin-4-ium-3-olate

Systemtic Name: 2-ethanoyl-7-methoxy-5-methylsulfanyl-1-(phenylmethyl)imidazo[1,2-c]pyrimidin-4-ium-3-olate Openeye Name: 2-acetyl-1-benzyl-7-methoxy-5-methylsulfanyl-imidazo[1,2-c]pyrimidin-4-ium-3-olate CAS Name: 2-acetyl-7-methoxy-5-(methylthio)-1-(phenylmethyl)-3-imidazo[1,2-c]pyrimidin-4-iumolate IUPAC Name: 2-acetyl-1-benzyl-7-methoxy-5-methylsulfanylimidazo[1,2-c]pyrimidin-4-ium-3-olate Traditional Name: 2-acetyl-1-benzyl-7-methoxy-5-(methylthio)imidazo[1,2-c]pyrimidin-4-ium-3-olate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+]2=C(N1CC3=CC=CC=C3)C=C(N=C2SC)OC)[O-]

Isomeric SMILES

CC(=O)C1=C([N+]2=C(N1CC3=CC=CC=C3)C=C(N=C2SC)OC)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-11(21)15-16(22)20-14(9-13(23-2)18-17(20)24-3)19(15)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3