N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-thieno[2,3-d]pyrimidinylthio)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide Traditional Name: N-piperonyl-2-(thieno[2,3-d]pyrimidin-4-ylthio)propionamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C17H15N3O3S2/c1-10(25-17-12-4-5-24-16(12)19-8-20-17)15(21)18-7-11-2-3-13-14(6-11)23-9-22-13/h2-6,8,10H,7,9H2,1H3,(H,18,21)