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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]butanoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]butanoic acid CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-2-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methylthieno[2,3-d]pyrimidin-2-yl]butanoic acid Traditional Name: 4-[6-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-2-yl]butyric acid Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=C(N=C2S1)CCCC(=O)O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(N=C(N=C2S1)CCCC(=O)O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O4S/c1-11-7-13-18(20-9-12-5-6-14-15(8-12)26-10-25-14)21-16(22-19(13)27-11)3-2-4-17(23)24/h5-8H,2-4,9-10H2,1H3,(H,23,24)(H,20,21,22)