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

Systemtic Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]benzoate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-2-thieno[2,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methylthieno[2,3-d]pyrimidin-2-yl]benzoate Traditional Name: 4-[6-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=C(N=C2S1)C3=CC=C(C=C3)C(=O)OC)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(N=C(N=C2S1)C3=CC=C(C=C3)C(=O)OC)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H19N3O4S/c1-13-9-17-21(24-11-14-3-8-18-19(10-14)30-12-29-18)25-20(26-22(17)31-13)15-4-6-16(7-5-15)23(27)28-2/h3-10H,11-12H2,1-2H3,(H,24,25,26)