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3,7-dimethyl-1-[2-(1,3-oxazolidin-5-yl)henicosyl]purine-2,6-dione

3,7-dimethyl-1-[2-(1,3-oxazolidin-5-yl)henicosyl]purine-2,6-dione

Systemtic Name:3,7-dimethyl-1-[2-(1,3-oxazolidin-5-yl)henicosyl]purine-2,6-dione
Openeye Name:3,7-dimethyl-1-(2-oxazolidin-5-ylhenicosyl)purine-2,6-dione
CAS Name:3,7-dimethyl-1-[2-(5-oxazolidinyl)heneicosyl]purine-2,6-dione
IUPAC Name:3,7-dimethyl-1-[2-(1,3-oxazolidin-5-yl)henicosyl]purine-2,6-dione
Traditional Name:3,7-dimethyl-1-(2-oxazolidin-5-ylheneicosyl)xanthine
Formula: C31H55N5O3
MolecularWeight: 545.8001
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)C3CNCO3


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)C3CNCO3


InChI

InChI=1S/C31H55N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(27-22-32-25-39-27)23-36-30(37)28-29(33-24-34(28)2)35(3)31(36)38/h24,26-27,32H,4-23,25H2,1-3H3


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