7-hexyl-3-methyl-5-(3-oxidanylpropylsulfanyl)-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-hexyl-3-methyl-5-(3-oxidanylpropylsulfanyl)-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-hexyl-5-(3-hydroxypropylsulfanyl)-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-hexyl-5-(3-hydroxypropylthio)-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-hexyl-5-(3-hydroxypropylsulfanyl)-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-hexyl-5-(3-hydroxypropylthio)-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H30N4O3S MolecularWeight: 394.5315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCCCO)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCCCO)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C19H30N4O3S/c1-4-6-7-8-10-14-20-16-15(17(21-14)27-13-9-12-24)18(25)22(3)19(26)23(16)11-5-2/h24H,4-13H2,1-3H3