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

Systemtic Name: 7-cyclopentyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopentyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-5-[(3-fluorophenyl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopentyl-5-[(3-fluorobenzyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C

InChI

InChI=1S/C20H21FN4O2S/c1-24-17-15(19(26)25(2)20(24)27)18(23-16(22-17)13-7-3-4-8-13)28-11-12-6-5-9-14(21)10-12/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3