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4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile

4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile structure

CAS No:
851268-59-2
Formula:
C16H15N5O2
Chemical Name:
4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile
Synonyms:
ZINC3348878;AKOS034476183;MCULE-9134178424;NCGC00286855-01;AB01150459-02;SR-01000062665;SR-01000062665-1;Z57989009;4-(3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzonitrile;851268-59-2

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4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile Basic Attributes

Molecular Weight：

309.32 g/mol

Exact Mass：

309.12257474 g/mol

Characteristics

PSA：

102 Å²

Computed Properties

Molecular Weight:309.32
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:309.12257474
Monoisotopic Mass:309.12257474
Topological Polar Surface Area:102
Heavy Atom Count:23
Complexity:520
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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