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

Systemtic Name: 1,3-dimethyl-5-[(3-methylphenyl)methylsulfanyl]-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-(m-tolylmethylsulfanyl)-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(3-methylphenyl)methylthio]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(3-methylphenyl)methylsulfanyl]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(3-methylbenzyl)thio]-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-14-8-7-9-15(12-14)13-29-20-17-19(25(2)22(28)26(3)21(17)27)23-18(24-20)16-10-5-4-6-11-16/h4-12H,13H2,1-3H3