2-[[6-ethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[6-ethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-benzyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[6-ethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-benzyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-(methylthio)butyric acid Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)CC3=CC=CC=C3)NC(CCSC)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)CC3=CC=CC=C3)NC(CCSC)C(=O)O

InChI

InChI=1S/C20H23N3O2S2/c1-3-14-12-15-18(21-16(20(24)25)9-10-26-2)22-17(23-19(15)27-14)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,24,25)(H,21,22,23)