7-dodecyl-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-dodecyl-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-dodecyl-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-7-lauryl-3-methyl-xanthine Formula: C21H37N5O3 MolecularWeight: 407.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H37N5O3/c1-3-4-5-6-7-8-9-10-11-12-15-26-17-18(23-20(26)22-14-13-16-27)25(2)21(29)24-19(17)28/h27H,3-16H2,1-2H3,(H,22,23)(H,24,28,29)