7-decyl-1-hexanoyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-decyl-1-hexanoyl-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-1-hexanoyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-1-(1-oxohexyl)purine-2,6-dione IUPAC Name: 7-decyl-1-hexanoyl-3-methylpurine-2,6-dione Traditional Name: 1-caproyl-7-decyl-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)C(=O)CCCCC

Isomeric SMILES

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

InChI

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