3,7-dimethyl-1-[11-[[(E)-tridec-9-enyl]amino]undecyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[11-[[(E)-tridec-9-enyl]amino]undecyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[11-[[(E)-tridec-9-enyl]amino]undecyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[11-[[(E)-tridec-9-enyl]amino]undecyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[11-[[(E)-tridec-9-enyl]amino]undecyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[11-[[(E)-tridec-9-enyl]amino]undecyl]xanthine Formula: C31H55N5O2 MolecularWeight: 529.8007

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCCCCCCNCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCC/C=C/CCCCCCCCNCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C31H55N5O2/c1-4-5-6-7-8-9-10-12-15-18-21-24-32-25-22-19-16-13-11-14-17-20-23-26-36-30(37)28-29(33-27-34(28)2)35(3)31(36)38/h6-7,27,32H,4-5,8-26H2,1-3H3/b7-6+