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

Systemtic Name: 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-butylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-butylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CCC

InChI

InChI=1S/C19H25N3O2S/c1-3-5-7-14-8-10-15(11-9-14)20-18(24)13-25-19-21-16(6-4-2)12-17(23)22-19/h8-12H,3-7,13H2,1-2H3,(H,20,24)(H,21,22,23)/p-1