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

Systemtic Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-methylbutylthio)-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H24N4O2S MolecularWeight: 336.45236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCCC(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCCC(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H24N4O2S/c1-6-7-11-17-13-12(14(18-11)23-9-8-10(2)3)15(21)20(5)16(22)19(13)4/h10H,6-9H2,1-5H3