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

Systemtic Name: 2-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(2-cyanoanilino)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(2-cyanoanilino)-2-oxoethyl]thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(2-cyanoanilino)-2-keto-ethyl]thio]-3-cyclopentyl-6-keto-pyrimidin-4-olate Formula: C18H17N4O3S- MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)[O-]

InChI

InChI=1S/C18H18N4O3S/c19-10-12-5-1-4-8-14(12)20-16(24)11-26-18-21-15(23)9-17(25)22(18)13-6-2-3-7-13/h1,4-5,8-9,13,25H,2-3,6-7,11H2,(H,20,24)/p-1