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1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-oxidanylhexyl)purine-2,6-dione

1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-oxidanylhexyl)purine-2,6-dione

Systemtic Name:1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-oxidanylhexyl)purine-2,6-dione
Openeye Name:1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-hydroxyhexyl)purine-2,6-dione
CAS Name:1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-hydroxyhexyl)purine-2,6-dione
IUPAC Name:1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-hydroxyhexyl)purine-2,6-dione
Traditional Name:1-[2-(dimethylamino)hexyl]-3-ethyl-7-(4-hydroxyhexyl)xanthine
Formula: C21H37N5O3
MolecularWeight: 407.55018
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C(=O)C2=C(N=CN2CCCC(CC)O)N(C1=O)CC)N(C)C


Isomeric SMILES

CCCCC(CN1C(=O)C2=C(N=CN2CCCC(CC)O)N(C1=O)CC)N(C)C


InChI

InChI=1S/C21H37N5O3/c1-6-9-11-16(23(4)5)14-26-20(28)18-19(25(8-3)21(26)29)22-15-24(18)13-10-12-17(27)7-2/h15-17,27H,6-14H2,1-5H3


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