N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H25N3O3S/c1-12(15-5-7-17-18(11-15)26-10-9-25-17)21-19(24)8-6-16-13(2)22-20(27-4)23-14(16)3/h5,7,11-12H,6,8-10H2,1-4H3,(H,21,24)