N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-piperonyl-4-propyl-pyrimidine-5-carboxamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)SC

InChI

InChI=1S/C17H19N3O3S/c1-3-4-13-12(9-19-17(20-13)24-2)16(21)18-8-11-5-6-14-15(7-11)23-10-22-14/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,21)