3-cyclopentyl-2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-6-oxo-2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]pyrimidin-4-olate Formula: C19H22N3O3S- MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

InChI

InChI=1S/C19H23N3O3S/c1-13-6-8-14(9-7-13)11-20-17(24)12-26-19-21-16(23)10-18(25)22(19)15-4-2-3-5-15/h6-10,15,25H,2-5,11-12H2,1H3,(H,20,24)/p-1