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7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione

7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione

Systemtic Name:7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione
Openeye Name:7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione
CAS Name:7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione
IUPAC Name:7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione
Traditional Name:7-[(3S)-3-ethylheptyl]-1,3-dimethyl-8-phenoxy-xanthine
Formula: C22H30N4O3
MolecularWeight: 398.4986
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C


Isomeric SMILES

CCCC[C@H](CC)CCN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C


InChI

InChI=1S/C22H30N4O3/c1-5-7-11-16(6-2)14-15-26-18-19(24(3)22(28)25(4)20(18)27)23-21(26)29-17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3/t16-/m0/s1


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