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

Systemtic Name: 7-decyl-3-methyl-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 7-decyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 7-decyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-decyl-1-(5-ketohexyl)-3-methyl-xanthine Formula: C22H36N4O3 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

Isomeric SMILES

CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

InChI

InChI=1S/C22H36N4O3/c1-4-5-6-7-8-9-10-12-15-25-17-23-20-19(25)21(28)26(22(29)24(20)3)16-13-11-14-18(2)27/h17H,4-16H2,1-3H3