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

Systemtic Name: 2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[benzyl(tert-butyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[benzyl(tert-butyl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[benzyl(tert-butyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H26N3O2S- MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-5-9-16-12-17(24)22-19(21-16)26-14-18(25)23(20(2,3)4)13-15-10-7-6-8-11-15/h6-8,10-12H,5,9,13-14H2,1-4H3,(H,21,22,24)/p-1