2-[(4-fluorophenyl)methyl-[1-[4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]propyl]amino]-N,N-dimethyl-ethanamine oxide

Systemtic Name: 2-[(4-fluorophenyl)methyl-[1-[4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]propyl]amino]-N,N-dimethyl-ethanamine oxide Openeye Name: 2-[1-(3-benzyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)propyl-[(4-fluorophenyl)methyl]amino]-N,N-dimethyl-ethanamine oxide CAS Name: 2-[(4-fluorophenyl)methyl-[1-[4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]propyl]amino]-N,N-dimethylethanamine oxide IUPAC Name: 2-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl-[(4-fluorophenyl)methyl]amino]-N,N-dimethylethanamine oxide Traditional Name: 2-[1-(3-benzyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)propyl-(4-fluorobenzyl)amino]-N,N-dimethyl-ethanamine oxide Formula: C27H31FN4O2S MolecularWeight: 494.624043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3)N(CC[N+](C)(C)[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3)N(CC[N+](C)(C)[O-])CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O2S/c1-4-24(30(15-16-32(2,3)34)18-21-10-12-22(28)13-11-21)25-29-26-23(14-17-35-26)27(33)31(25)19-20-8-6-5-7-9-20/h5-14,17,24H,4,15-16,18-19H2,1-3H3