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

Systemtic Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]pentanoate Openeye Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]pentanoate CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-2-thieno[2,3-d]pyrimidinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethylamino)-6-ethylthieno[2,3-d]pyrimidin-2-yl]pentanoate Traditional Name: 5-[6-ethyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-2-yl]valeric acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-15-11-16-21(23-12-14-8-9-17-18(10-14)29-13-28-17)24-19(25-22(16)30-15)6-4-5-7-20(26)27-2/h8-11H,3-7,12-13H2,1-2H3,(H,23,24,25)