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1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione structure

CAS No:
5429-48-1
Formula:
C18H16N4O2
Chemical Name:
1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione
Synonyms:
MLS002638357;5429-48-1;NSC14147;CHEMBL1721404;NIOSH/UO8445500;DTXSID20279796;HMS3086F19;ZINC8581205;NSC-14147;Theophylline, 8-(1-naphthylmethyl)-;SMR001547843;UO84455000;1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-;2,3,6,7-Tetrahydro-1,3-dimethyl-8-(1-naphthalenylmethyl)-1H-purine-2,6-dione

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1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

320.3 g/mol

Exact Mass：

320.12732577 g/mol

NSC Number：

14147

DSSTox ID：

DTXSID20279796

Characteristics

PSA：

69.3 Å²

Computed Properties

Molecular Weight:320.3
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:320.12732577
Monoisotopic Mass:320.12732577
Topological Polar Surface Area:69.3
Heavy Atom Count:24
Complexity:525
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(naphthalen-1-ylmethyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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