2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C15H15BrN2O3S MolecularWeight: 383.2602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C15H15BrN2O3S/c1-2-3-10-5-14(19)18-15(17-10)22-7-9-4-12-13(6-11(9)16)21-8-20-12/h4-6H,2-3,7-8H2,1H3,(H,17,18,19)