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

Systemtic Name: 7-tert-butyl-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[(3,5-dimethylphenyl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(3,5-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:

CC1=CC(=CC(=C1)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C)C

InChI

InChI=1S/C21H26N4O2S/c1-12-8-13(2)10-14(9-12)11-28-17-15-16(22-19(23-17)21(3,4)5)24(6)20(27)25(7)18(15)26/h8-10H,11H2,1-7H3