3-methyl-1,7-bis(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 3-methyl-1,7-bis(5-oxohexyl)purine-2,6-dione CAS Name: 3-methyl-1,7-bis(5-oxohexyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-bis(5-oxohexyl)purine-2,6-dione Traditional Name: 1,7-bis(5-ketohexyl)-3-methyl-xanthine Formula: C18H26N4O4 MolecularWeight: 362.42344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

Isomeric SMILES

CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

InChI

InChI=1S/C18H26N4O4/c1-13(23)8-4-6-10-21-12-19-16-15(21)17(25)22(18(26)20(16)3)11-7-5-9-14(2)24/h12H,4-11H2,1-3H3