4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-5-phenyl-4-(4-piperonylpiperazino)thieno[2,3-d]pyrimidine Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H24N4O2S/c1-17-26-24(23-20(15-32-25(23)27-17)19-5-3-2-4-6-19)29-11-9-28(10-12-29)14-18-7-8-21-22(13-18)31-16-30-21/h2-8,13,15H,9-12,14,16H2,1H3