N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(methylthio)pyrimidine-5-carboxamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CN=C(N=C3)SC

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CN=C(N=C3)SC

InChI

InChI=1S/C18H21N3O3S/c1-3-4-14(12-5-6-15-16(9-12)24-8-7-23-15)21-17(22)13-10-19-18(25-2)20-11-13/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22)