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

Systemtic Name: 3-cyclopentyl-2-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-2-[[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C21H26N3O3S- MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

InChI

InChI=1S/C21H27N3O3S/c1-3-15-8-10-16(11-9-15)14(2)22-19(26)13-28-21-23-18(25)12-20(27)24(21)17-6-4-5-7-17/h8-12,14,17,27H,3-7,13H2,1-2H3,(H,22,26)/p-1/t14-/m0/s1