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

Systemtic Name: 5-butylsulfanyl-7-(3-chlorophenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-7-(3-chlorophenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-7-(3-chlorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-7-(3-chlorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-7-(3-chlorophenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c1-4-5-9-26-16-13-15(22(2)18(25)23(3)17(13)24)20-14(21-16)11-7-6-8-12(19)10-11/h6-8,10H,4-5,9H2,1-3H3