7-(2,2-dimethylpropyl)-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-neopentyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H24N4O3S/c1-21(2,3)11-15-22-17-16(19(27)25(5)20(28)24(17)4)18(23-15)29-12-14(26)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3