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

Systemtic Name: 2-[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-tert-butylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-tert-butylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-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=CC=C2C(C)(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(C)(C)C)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-5-8-13-11-16(23)22-18(20-13)25-12-17(24)21-15-10-7-6-9-14(15)19(2,3)4/h6-7,9-11H,5,8,12H2,1-4H3,(H,21,24)(H,20,22,23)/p-1