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

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(2-chlorophenyl)methylthio]-7-cyclohexyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-cyclohexyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-chlorobenzyl)thio]-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC4=CC=CC=C4Cl)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC4=CC=CC=C4Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23ClN4O2S/c1-25-18-16(20(27)26(2)21(25)28)19(29-12-14-10-6-7-11-15(14)22)24-17(23-18)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3