4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]butanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]butanoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]butanoic acid CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-2-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethylthieno[2,3-d]pyrimidin-2-yl]butanoic acid Traditional Name: 4-[6-ethyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-2-yl]butyric acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)CCCC(=O)O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)CCCC(=O)O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4S/c1-2-13-9-14-19(21-10-12-6-7-15-16(8-12)27-11-26-15)22-17(23-20(14)28-13)4-3-5-18(24)25/h6-9H,2-5,10-11H2,1H3,(H,24,25)(H,21,22,23)