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

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(2-chlorophenyl)methylthio]-7-cyclopentyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-7-cyclopentyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-chlorobenzyl)thio]-7-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC4=CC=CC=C4Cl)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC4=CC=CC=C4Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C20H21ClN4O2S/c1-24-17-15(19(26)25(2)20(24)27)18(23-16(22-17)12-7-3-4-8-12)28-11-13-9-5-6-10-14(13)21/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3