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

Systemtic Name: 5-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(3-chlorophenyl)methylthio]-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(3-chlorobenzyl)thio]-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19ClN4O2S/c1-4-6-13-20-15-14(17(24)23(3)18(25)22(15)2)16(21-13)26-10-11-7-5-8-12(19)9-11/h5,7-9H,4,6,10H2,1-3H3