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

Systemtic Name: 5-[4-(4-chloranylphenoxy)but-2-ynyl-methyl-amino]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-methyl-amino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[4-(4-chlorophenoxy)but-2-ynyl-methyl-amino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)N(C)CC#CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)N(C)CC#CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-19(15-12-20(2)17(23)21(3)16(15)22)10-4-5-11-24-14-8-6-13(18)7-9-14/h6-9,12H,10-11H2,1-3H3