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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(C)(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(C)(C)C)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-5-6-15-11-16(23)22-18(21-15)25-12-17(24)20-14-9-7-13(8-10-14)19(2,3)4/h7-11H,5-6,12H2,1-4H3,(H,20,24)(H,21,22,23)/p-1