N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H24N4O3S/c1-16-27-24(23-20(14-34-26(23)28-16)17-5-3-2-4-6-17)30-11-9-18(10-12-30)25(31)29-19-7-8-21-22(13-19)33-15-32-21/h2-8,13-14,18H,9-12,15H2,1H3,(H,29,31)