1-heptadec-16-enyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-heptadec-16-enyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-heptadec-16-enyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-heptadec-16-enyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-heptadec-16-enyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-heptadec-16-enyl-3,7-dimethyl-xanthine Formula: C24H40N4O2 MolecularWeight: 416.6

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCCCCCC=C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCCCCCC=C

InChI

InChI=1S/C24H40N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-23(29)21-22(25-20-26(21)2)27(3)24(28)30/h4,20H,1,5-19H2,2-3H3