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8-(hexylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

8-(hexylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name:8-(hexylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Openeye Name:8-(hexylamino)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione
CAS Name:8-(hexylamino)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione
IUPAC Name:8-(hexylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Traditional Name:8-(hexylamino)-3-methyl-7-(1-naphthylmethyl)xanthine
Formula: C23H27N5O2
MolecularWeight: 405.49278
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C


InChI

InChI=1S/C23H27N5O2/c1-3-4-5-8-14-24-22-25-20-19(21(29)26-23(30)27(20)2)28(22)15-17-12-9-11-16-10-6-7-13-18(16)17/h6-7,9-13H,3-5,8,14-15H2,1-2H3,(H,24,25)(H,26,29,30)


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