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

Systemtic Name: 2-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(3-bromoanilino)-2-oxoethyl]thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-3-cyclopentyl-6-keto-pyrimidin-4-olate Formula: C17H17BrN3O3S- MolecularWeight: 423.30418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC(=CC=C3)Br)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC(=CC=C3)Br)[O-]

InChI

InChI=1S/C17H18BrN3O3S/c18-11-4-3-5-12(8-11)19-15(23)10-25-17-20-14(22)9-16(24)21(17)13-6-1-2-7-13/h3-5,8-9,13,24H,1-2,6-7,10H2,(H,19,23)/p-1