2-[4-[1-[4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]propyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-[4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]propyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[1-(3-benzyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-[4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]propyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[1-(3-benzyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)propyl]piperazino]acetic acid Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)CC(=O)O

Isomeric SMILES

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)CC(=O)O

InChI

InChI=1S/C22H26N4O3S/c1-2-18(25-11-9-24(10-12-25)15-19(27)28)20-23-21-17(8-13-30-21)22(29)26(20)14-16-6-4-3-5-7-16/h3-8,13,18H,2,9-12,14-15H2,1H3,(H,27,28)