2-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[benzyl(ethyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[ethyl-(phenylmethyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[benzyl(ethyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(CC)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N(CC)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C18H23N3O2S/c1-3-8-15-11-16(22)20-18(19-15)24-13-17(23)21(4-2)12-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,20,22)/p-1