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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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