N-(1,3-benzodioxol-5-yl)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=C(SC5=NC=N4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=C(SC5=NC=N4)C6=CC=CC=C6

InChI

InChI=1S/C25H22N4O3S/c30-24(28-18-6-7-20-21(12-18)32-15-31-20)17-8-10-29(11-9-17)23-19-13-22(16-4-2-1-3-5-16)33-25(19)27-14-26-23/h1-7,12-14,17H,8-11,15H2,(H,28,30)