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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-thieno[2,3-d]pyrimidin-4-yl-isonipecotamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=CSC5=NC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=CSC5=NC=N4

InChI

InChI=1S/C19H18N4O3S/c24-18(22-13-1-2-15-16(9-13)26-11-25-15)12-3-6-23(7-4-12)17-14-5-8-27-19(14)21-10-20-17/h1-2,5,8-10,12H,3-4,6-7,11H2,(H,22,24)