2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[ethyl(1-naphthyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H22N3O2S- MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(CC)C2=CC=CC3=CC=CC=C32)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N(CC)C2=CC=CC3=CC=CC=C32)[O-]

InChI

InChI=1S/C21H23N3O2S/c1-3-8-16-13-19(25)23-21(22-16)27-14-20(26)24(4-2)18-12-7-10-15-9-5-6-11-17(15)18/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,22,23,25)/p-1