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

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(4-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(4-chlorophenyl)methylthio]-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(4-chlorobenzyl)thio]-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=C(C=C4)Cl)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=C(C=C4)Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C18H17ClN4O2S/c1-22-15-13(17(24)23(2)18(22)25)16(21-14(20-15)11-5-6-11)26-9-10-3-7-12(19)8-4-10/h3-4,7-8,11H,5-6,9H2,1-2H3