5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-7-hexyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-7-hexyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-7-hexyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylthio]-7-hexyl-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-7-hexyl-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylthio]-7-hexyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCC3=NC(=NO3)CC)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCC3=NC(=NO3)CC)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C21H30N6O3S/c1-5-8-9-10-11-15-23-18-17(20(28)26(4)21(29)27(18)12-6-2)19(24-15)31-13-16-22-14(7-3)25-30-16/h5-13H2,1-4H3