2-[(6-chloranylpyridin-3-yl)methyl-[1-[4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]propyl]amino]-N,N-dimethyl-ethanamine oxide

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)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-[(6-chloro-3-pyridyl)methyl]amino]-N,N-dimethyl-ethanamine oxide CAS Name: 2-[(6-chloro-3-pyridinyl)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-[(6-chloropyridin-3-yl)methyl]amino]-N,N-dimethylethanamine oxide Traditional Name: 2-[1-(3-benzyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)propyl-[(6-chloro-3-pyridyl)methyl]amino]-N,N-dimethyl-ethanamine oxide Formula: C26H30ClN5O2S MolecularWeight: 512.0667

Click to see the large picture

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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN5O2S/c1-4-22(30(13-14-32(2,3)34)17-20-10-11-23(27)28-16-20)24-29-25-21(12-15-35-25)26(33)31(24)18-19-8-6-5-7-9-19/h5-12,15-16,22H,4,13-14,17-18H2,1-3H3