3-cyclopentyl-6-oxidanylidene-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-6-oxidanylidene-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-6-oxo-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-cyclopentyl-6-oxo-2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-6-oxo-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]pyrimidin-4-olate Formula: C21H25N4O5S2- MolecularWeight: 477.577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[O-]

InChI

InChI=1S/C21H26N4O5S2/c26-18-13-20(28)25(16-5-1-2-6-16)21(23-18)31-14-19(27)22-15-7-9-17(10-8-15)32(29,30)24-11-3-4-12-24/h7-10,13,16,28H,1-6,11-12,14H2,(H,22,27)/p-1