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

Systemtic Name: 7-butyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-5-[(2,5-dimethylphenyl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-5-[(2,5-dimethylbenzyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC3=C(C=CC(=C3)C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC3=C(C=CC(=C3)C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H26N4O2S/c1-6-7-8-16-22-18-17(20(26)25(5)21(27)24(18)4)19(23-16)28-12-15-11-13(2)9-10-14(15)3/h9-11H,6-8,12H2,1-5H3