4-(1,3-benzodioxol-5-yloxy)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-5-phenyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-5-phenyl-2-(1-piperidinylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-5-phenyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H23N3O3S/c1-3-7-17(8-4-1)19-15-32-25-23(19)24(26-22(27-25)14-28-11-5-2-6-12-28)31-18-9-10-20-21(13-18)30-16-29-20/h1,3-4,7-10,13,15H,2,5-6,11-12,14,16H2