7-tert-butyl-5-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-5-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C22H26N4O3S/c1-7-13-8-10-14(11-9-13)15(27)12-30-18-16-17(23-20(24-18)22(2,3)4)25(5)21(29)26(6)19(16)28/h8-11H,7,12H2,1-6H3