5-[(4-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[(4-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(4-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(4-bromophenyl)methylthio]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(4-bromophenyl)methylsulfanyl]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(4-bromobenzyl)thio]-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H15BrN4O2S/c1-9-18-13-12(15(22)21(3)16(23)20(13)2)14(19-9)24-8-10-4-6-11(17)7-5-10/h4-7H,8H2,1-3H3