ethyl 4-azanyl-2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16BrN3O4S MolecularWeight: 426.28494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H16BrN3O4S/c1-2-22-15(21)10-7-19-16(20-14(10)18)25-8-9-5-12-13(6-11(9)17)24-4-3-23-12/h5-7H,2-4,8H2,1H3,(H2,18,19,20)