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

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(2,5-dimethylphenyl)methylthio]-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2,5-dimethylbenzyl)thio]-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4

InChI

InChI=1S/C21H20N4O2S2/c1-12-7-8-13(2)14(10-12)11-29-19-16-18(24(3)21(27)25(4)20(16)26)22-17(23-19)15-6-5-9-28-15/h5-10H,11H2,1-4H3