7-decyl-1-hex-5-enyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-decyl-1-hex-5-enyl-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-1-hex-5-enyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-1-hex-5-enyl-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-1-hex-5-enyl-3-methylpurine-2,6-dione Traditional Name: 7-decyl-1-hex-5-enyl-3-methyl-xanthine Formula: C22H36N4O2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O2/c1-4-6-8-10-11-12-13-14-16-25-18-23-20-19(25)21(27)26(22(28)24(20)3)17-15-9-7-5-2/h5,18H,2,4,6-17H2,1,3H3