3-cyclopentyl-6-oxidanylidene-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-6-oxidanylidene-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-6-oxo-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-cyclopentyl-6-oxo-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-6-oxo-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]pyrimidin-4-olate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

InChI

InChI=1S/C18H23N3O3S/c1-11-8-14(12(2)20(11)3)15(22)10-25-18-19-16(23)9-17(24)21(18)13-6-4-5-7-13/h8-9,13,24H,4-7,10H2,1-3H3/p-1