5-[4-(4-chloranylphenoxy)but-2-ynyl-ethyl-amino]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[4-(4-chloranylphenoxy)but-2-ynyl-ethyl-amino]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-ethyl-amino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-ethyl-amino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#CCOC1=CC=C(C=C1)Cl)C2=CN(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN(CC#CCOC1=CC=C(C=C1)Cl)C2=CN(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20ClN3O3/c1-4-22(16-13-20(2)18(24)21(3)17(16)23)11-5-6-12-25-15-9-7-14(19)8-10-15/h7-10,13H,4,11-12H2,1-3H3