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

Systemtic Name: ethyl 4-azanyl-2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C16H16ClN3O4S/c1-2-22-15(21)10-7-19-16(20-14(10)18)25-8-9-5-11(17)13-12(6-9)23-3-4-24-13/h5-7H,2-4,8H2,1H3,(H2,18,19,20)