3,7-dimethyl-1-[10-oxidanyl-11-(propylamino)undecyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[10-oxidanyl-11-(propylamino)undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-(propylamino)undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-(propylamino)undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-(propylamino)undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(propylamino)undecyl]-3,7-dimethyl-xanthine Formula: C21H37N5O3 MolecularWeight: 407.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C21H37N5O3/c1-4-13-22-15-17(27)12-10-8-6-5-7-9-11-14-26-20(28)18-19(23-16-24(18)2)25(3)21(26)29/h16-17,22,27H,4-15H2,1-3H3