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

Systemtic Name: 7-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-5-[(4-chlorophenyl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-5-[(4-chlorobenzyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21ClN4O2S MolecularWeight: 404.91364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21ClN4O2S/c1-4-5-6-14-21-16-15(18(25)24(3)19(26)23(16)2)17(22-14)27-11-12-7-9-13(20)10-8-12/h7-10H,4-6,11H2,1-3H3