3-cyclopentyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-3-cyclopentyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-3-cyclopentyl-6-keto-pyrimidin-4-olate Formula: C17H18N3O3S- MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c21-14-10-16(23)20(13-8-4-5-9-13)17(19-14)24-11-15(22)18-12-6-2-1-3-7-12/h1-3,6-7,10,13,23H,4-5,8-9,11H2,(H,18,22)/p-1