7-tert-butyl-1,3-dimethyl-5-phenethylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-phenethylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-phenethylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-(phenethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-phenethylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-1,3-dimethyl-5-(phenethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H24N4O2S/c1-20(2,3)18-21-15-14(17(25)24(5)19(26)23(15)4)16(22-18)27-12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3