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1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethyl-purine-2,6-dione

1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name:1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethyl-purine-2,6-dione
Openeye Name:1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethyl-purine-2,6-dione
CAS Name:1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethylpurine-2,6-dione
Traditional Name:1-[11-(hept-2-ynylamino)undecyl]-3,7-dimethyl-xanthine
Formula: C25H41N5O2
MolecularWeight: 443.62534
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCNCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C


Isomeric SMILES

CCCCC#CCNCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C


InChI

InChI=1S/C25H41N5O2/c1-4-5-6-12-15-18-26-19-16-13-10-8-7-9-11-14-17-20-30-24(31)22-23(27-21-28(22)2)29(3)25(30)32/h21,26H,4-11,13-14,16-20H2,1-3H3


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