5-[(2-chlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(2-chlorophenyl)methylthio]-7-ethyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-ethyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-chlorobenzyl)thio]-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H17ClN4O2S/c1-4-12-19-14-13(16(23)22(3)17(24)21(14)2)15(20-12)25-9-10-7-5-6-8-11(10)18/h5-8H,4,9H2,1-3H3